N-(2-aminoethyl)-4-(1-propylindol-3-yl)cyclohexane-1-carboxamide

C20H29N3O — CID 84613189

IUPACN-(2-aminoethyl)-4-(1-propylindol-3-yl)cyclohexane-1-carboxamide
SMILESCCCn1cc(C2CCC(C(=O)NCCN)CC2)c2ccccc21
InChIInChI=1S/C20H29N3O/c1-2-13-23-14-18(17-5-3-4-6-19(17)23)15-7-9-16(10-8-15)20(24)22-12-11-21/h3-6,14-16H,2,7-13,21H2,1H3,(H,22,24)
InChIKeyHRCPEYSMOMTMMJ-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.40
Rot. Bonds6

About N-(2-aminoethyl)-4-(1-propylindol-3-yl)cyclohexane-1-carboxamide

N-(2-aminoethyl)-4-(1-propylindol-3-yl)cyclohexane-1-carboxamide (PubChem CID 84613189) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-(1-propylindol-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-(1-propylindol-3-yl)cyclohexane-1-carboxamide
PubChem CID84613189
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC NameN-(2-aminoethyl)-4-(1-propylindol-3-yl)cyclohexane-1-carboxamide
SMILESCCCn1cc(C2CCC(C(=O)NCCN)CC2)c2ccccc21
InChIInChI=1S/C20H29N3O/c1-2-13-23-14-18(17-5-3-4-6-19(17)23)15-7-9-16(10-8-15)20(24)22-12-11-21/h3-6,14-16H,2,7-13,21H2,1H3,(H,22,24)
InChIKeyHRCPEYSMOMTMMJ-UHFFFAOYSA-N
XLogP3.40
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-4-(1-methylindol-3-yl)cyclohexane-1-carboxamide
CID 84613024
4-(1-propylindol-3-yl)cyclohexane-1-carboxamide
CID 84613190
[4-(1-propylindol-3-yl)piperidin-1-yl]-(2,4,6-trichlorophenyl)methanone
CID 46090085
N-[2-[3-(1H-imidazol-2-ylmethyl)indol-1-yl]ethyl]cyclopropanecarboxamide
CID 70574636
N-(2-aminoethyl)-1-methylpiperidine-4-carboxamide
CID 53215741
N-(3-aminopropyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride
CID 119406896
4-[4-(1-methylindol-3-yl)piperidin-1-yl]butan-1-amine
CID 58610231
ethyl 4-[1-(2-pyridin-2-ylethyl)indol-3-yl]piperidine-1-carboxylate
CID 69415426
(E)-3-[4-[2-[4-(1-pentylindol-3-yl)piperidin-1-yl]ethyl]phenyl]prop-2-enoic acid
CID 23444897
1-propyl-N-(2-sulfamoylethyl)indole-3-carboxamide
CID 51102367
2-[4-[1-(3-methylbutyl)indol-3-yl]piperidin-1-yl]benzoic acid
CID 141032395
N-(2-aminoethyl)-2-(1-methylindol-3-yl)acetamide
CID 82289252

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-(1-propylindol-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of N-(2-aminoethyl)-4-(1-propylindol-3-yl)cyclohexane-1-carboxamide (CID 84613189) is N-(2-aminoethyl)-4-(1-propylindol-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-4-(1-propylindol-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-4-(1-propylindol-3-yl)cyclohexane-1-carboxamide is CCCn1cc(C2CCC(C(=O)NCCN)CC2)c2ccccc21.
What is the InChIKey of N-(2-aminoethyl)-4-(1-propylindol-3-yl)cyclohexane-1-carboxamide?
The InChIKey is HRCPEYSMOMTMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-2-13-23-14-18(17-5-3-4-6-19(17)23)15-7-9-16(10-8-15)20(24)22-12-11-21/h3-6,14-16H,2,7-13,21H2,1H3,(H,22,24).
What are the key properties of N-(2-aminoethyl)-4-(1-propylindol-3-yl)cyclohexane-1-carboxamide?
N-(2-aminoethyl)-4-(1-propylindol-3-yl)cyclohexane-1-carboxamide has a molecular weight of 327.47 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-(1-propylindol-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 84613189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).