N-amino-N'-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboximidamide

C14H22N4S — CID 116512879

IUPACN-amino-N'-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboximidamide
SMILESNN/C(=N\C1CCCCC1)N1CCc2sccc2C1
InChIInChI=1S/C14H22N4S/c15-17-14(16-12-4-2-1-3-5-12)18-8-6-13-11(10-18)7-9-19-13/h7,9,12H,1-6,8,10,15H2,(H,16,17)
InChIKeyADMLKOJLZZQIKZ-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.26
Rot. Bonds1

About N-amino-N'-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboximidamide

N-amino-N'-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboximidamide (PubChem CID 116512879) has the molecular formula C14H22N4S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-amino-N'-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboximidamide
PubChem CID116512879
Molecular FormulaC14H22N4S
Molecular Weight278.42 g/mol
Exact Mass278.16
IUPAC NameN-amino-N'-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboximidamide
SMILESNN/C(=N\C1CCCCC1)N1CCc2sccc2C1
InChIInChI=1S/C14H22N4S/c15-17-14(16-12-4-2-1-3-5-12)18-8-6-13-11(10-18)7-9-19-13/h7,9,12H,1-6,8,10,15H2,(H,16,17)
InChIKeyADMLKOJLZZQIKZ-UHFFFAOYSA-N
XLogP2.26
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-N'-cyclopropyl-1,3-dihydroisoindole-2-carboximidamide
CID 116513680
2-(cyclohexylamino)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 43388465
1-cyclohexyl-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]guanidine
CID 111098035
N,N'-dicyclohexyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 11702851
cis-(1S,2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclohexan-1-ol
CID 129365586
N-(1-acetylpiperidin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 138994042
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2-hydroxycyclohexyl)-methylamino]ethanone
CID 102636643
N-amino-N'-cyclopentyl-4-cyclopropylpiperazine-1-carboximidamide
CID 104885662
1-cyclohexyl-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3-ethylguanidine;hydroiodide
CID 110958668
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 47040970
1-[2-(aminomethyl)piperidin-1-yl]-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,4-dione
CID 119468271
methyl 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)cyclopentane-1-carboxylate
CID 103342136

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboximidamide?
The IUPAC name of N-amino-N'-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboximidamide (CID 116512879) is N-amino-N'-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboximidamide?
The canonical SMILES for N-amino-N'-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboximidamide is NN/C(=N\C1CCCCC1)N1CCc2sccc2C1.
What is the InChIKey of N-amino-N'-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboximidamide?
The InChIKey is ADMLKOJLZZQIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c15-17-14(16-12-4-2-1-3-5-12)18-8-6-13-11(10-18)7-9-19-13/h7,9,12H,1-6,8,10,15H2,(H,16,17).
What are the key properties of N-amino-N'-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboximidamide?
N-amino-N'-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboximidamide has a molecular weight of 278.42 g/mol, XLogP of 2.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboximidamide is sourced from PubChem (CID 116512879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).