N'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(ethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide

C103H122N20S5 — CID 162162229

IUPACN'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(ethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide
SMILESCCNC1CCC(c2c[nH]c3ccc(/N=C(\N)c4cccs4)cc23)CC1.CN(C)C1CC=C(c2c[nH]c3ccc(/N=C(\N)c4cccs4)cc23)CC1.CN(C)C1CCC(c2c[nH]c3ccc(/N=C(\N)c4cccs4)cc23)CC1.CNC1CC=C(c2c[nH]c3ccc(/N=C(\N)c4cccs4)cc23)CC1.CNC1CCC(c2c[nH]c3ccc(/N=C(\N)c4cccs4)cc23)CC1
InChIInChI=1S/C21H26N4S.C21H24N4S.C21H26N4S.C20H24N4S.C20H22N4S/c2*1-25(2)16-8-5-14(6-9-16)18-13-23-19-10-7-15(12-17(18)19)24-21(22)20-4-3-11-26-20;1-2-23-15-7-5-14(6-8-15)18-13-24-19-10-9-16(12-17(18)19)25-21(22)20-4-3-11-26-20;2*1-22-14-6-4-13(5-7-14)17-12-23-18-9-8-15(11-16(17)18)24-20(21)19-3-2-10-25-19/h3-4,7,10-14,16,23H,5-6,8-9H2,1-2H3,(H2,22,24);3-5,7,10-13,16,23H,6,8-9H2,1-2H3,(H2,22,24);3-4,9-15,23-24H,2,5-8H2,1H3,(H2,22,25);2-3,8-14,22-23H,4-7H2,1H3,(H2,21,24);2-4,8-12,14,22-23H,5-7H2,1H3,(H2,21,24)
InChIKeyZMQHMKKWXFSPMP-UHFFFAOYSA-N
MW1800.58 g/mol
LogP23.45
Rot. Bonds21

About N'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(ethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide

N'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(ethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide (PubChem CID 162162229) has the molecular formula C103H122N20S5 and a molecular weight of 1800.58 g/mol. Its IUPAC name is N'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(ethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(ethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide
PubChem CID162162229
Molecular FormulaC103H122N20S5
Molecular Weight1800.58 g/mol
Exact Mass1798.88
IUPAC NameN'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(ethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide
SMILESCCNC1CCC(c2c[nH]c3ccc(/N=C(\N)c4cccs4)cc23)CC1.CN(C)C1CC=C(c2c[nH]c3ccc(/N=C(\N)c4cccs4)cc23)CC1.CN(C)C1CCC(c2c[nH]c3ccc(/N=C(\N)c4cccs4)cc23)CC1.CNC1CC=C(c2c[nH]c3ccc(/N=C(\N)c4cccs4)cc23)CC1.CNC1CCC(c2c[nH]c3ccc(/N=C(\N)c4cccs4)cc23)CC1
InChIInChI=1S/C21H26N4S.C21H24N4S.C21H26N4S.C20H24N4S.C20H22N4S/c2*1-25(2)16-8-5-14(6-9-16)18-13-23-19-10-7-15(12-17(18)19)24-21(22)20-4-3-11-26-20;1-2-23-15-7-5-14(6-8-15)18-13-24-19-10-9-16(12-17(18)19)25-21(22)20-4-3-11-26-20;2*1-22-14-6-4-13(5-7-14)17-12-23-18-9-8-15(11-16(17)18)24-20(21)19-3-2-10-25-19/h3-4,7,10-14,16,23H,5-6,8-9H2,1-2H3,(H2,22,24);3-5,7,10-13,16,23H,6,8-9H2,1-2H3,(H2,22,24);3-4,9-15,23-24H,2,5-8H2,1H3,(H2,22,25);2-3,8-14,22-23H,4-7H2,1H3,(H2,21,24);2-4,8-12,14,22-23H,5-7H2,1H3,(H2,21,24)
InChIKeyZMQHMKKWXFSPMP-UHFFFAOYSA-N
XLogP23.45
TPSA313.42 Ų
H-Bond Donors13
H-Bond Acceptors15
Rotatable Bonds21
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001800.58
LogP ≤ 523.45
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(ethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide with MolForge

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Related Compounds

N'-[3-[4-(ethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide
CID 159028072
N'-[3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide
CID 15951336
3-[4-(dimethylamino)cyclohexyl]-1H-indol-5-amine;N,N-dimethyl-4-(5-nitro-1H-indol-3-yl)cyclohex-3-en-1-amine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohexan-1-amine;methyl thiophene-2-carboximidothioate
CID 162004708
2-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;bis(N-ethyl-3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]cyclohexan-1-amine);tetrakis(3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N-methylcyclohexan-1-amine)
CID 162064286
N'-(3-propan-2-yl-1H-indol-5-yl)thiophene-2-carboximidamide
CID 89354304
N'-[4-cyclopentyloxy-3-(methylaminomethyl)phenyl]thiophene-2-carboximidamide;dihydrochloride
CID 70131489
N'-[[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methyl]thiophene-2-carboximidamide;hydrochloride
CID 57398365
N'-[3-(chloromethyl)-4-cyclopentylphenyl]thiophene-2-carboximidamide
CID 70141265
3-[4-[methyl(2-phenylethyl)amino]cyclohexen-1-yl]-1H-indole-5-carbonitrile
CID 15290840
N'-[3-(1-aminoheptan-4-yl)-1H-indol-6-yl]thiophene-2-carboximidamide
CID 89329677
ethyl-[4-(5-nitro-1H-indol-3-yl)cyclohex-3-en-1-yl]carbamic acid
CID 66912496
N'-[3-(1-piperidin-4-ylethenyl)-1H-indol-6-yl]thiophene-2-carboximidamide
CID 89329509

Frequently Asked Questions

What is the IUPAC name of N'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(ethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide?
The IUPAC name of N'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(ethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide (CID 162162229) is N'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(ethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide.
What is the SMILES notation for N'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(ethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide?
The canonical SMILES for N'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(ethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide is CCNC1CCC(c2c[nH]c3ccc(/N=C(\N)c4cccs4)cc23)CC1.CN(C)C1CC=C(c2c[nH]c3ccc(/N=C(\N)c4cccs4)cc23)CC1.CN(C)C1CCC(c2c[nH]c3ccc(/N=C(\N)c4cccs4)cc23)CC1.CNC1CC=C(c2c[nH]c3ccc(/N=C(\N)c4cccs4)cc23)CC1.CNC1CCC(c2c[nH]c3ccc(/N=C(\N)c4cccs4)cc23)CC1.
What is the InChIKey of N'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(ethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide?
The InChIKey is ZMQHMKKWXFSPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4S.C21H24N4S.C21H26N4S.C20H24N4S.C20H22N4S/c2*1-25(2)16-8-5-14(6-9-16)18-13-23-19-10-7-15(12-17(18)19)24-21(22)20-4-3-11-26-20;1-2-23-15-7-5-14(6-8-15)18-13-24-19-10-9-16(12-17(18)19)25-21(22)20-4-3-11-26-20;2*1-22-14-6-4-13(5-7-14)17-12-23-18-9-8-15(11-16(17)18)24-20(21)19-3-2-10-25-19/h3-4,7,10-14,16,23H,5-6,8-9H2,1-2H3,(H2,22,24);3-5,7,10-13,16,23H,6,8-9H2,1-2H3,(H2,22,24);3-4,9-15,23-24H,2,5-8H2,1H3,(H2,22,25);2-3,8-14,22-23H,4-7H2,1H3,(H2,21,24);2-4,8-12,14,22-23H,5-7H2,1H3,(H2,21,24).
What are the key properties of N'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(ethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide?
N'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(ethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide has a molecular weight of 1800.58 g/mol, XLogP of 23.45, 21 rotatable bonds, 13 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(ethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide is sourced from PubChem (CID 162162229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).