7-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]heptanamide;hydrochloride

C18H31ClN2OS — CID 119799163

IUPAC7-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)NCC1(c2cccs2)CCCCC1
InChIInChI=1S/C18H30N2OS.ClH/c19-13-7-2-1-4-10-17(21)20-15-18(11-5-3-6-12-18)16-9-8-14-22-16;/h8-9,14H,1-7,10-13,15,19H2,(H,20,21);1H
InChIKeyGAUHDHONMRNIGV-UHFFFAOYSA-N
MW358.98 g/mol
LogP4.40
Rot. Bonds9

About 7-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]heptanamide;hydrochloride

7-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]heptanamide;hydrochloride (PubChem CID 119799163) has the molecular formula C18H31ClN2OS and a molecular weight of 358.98 g/mol. Its IUPAC name is 7-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]heptanamide;hydrochloride
PubChem CID119799163
Molecular FormulaC18H31ClN2OS
Molecular Weight358.98 g/mol
Exact Mass358.18
IUPAC Name7-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)NCC1(c2cccs2)CCCCC1
InChIInChI=1S/C18H30N2OS.ClH/c19-13-7-2-1-4-10-17(21)20-15-18(11-5-3-6-12-18)16-9-8-14-22-16;/h8-9,14H,1-7,10-13,15,19H2,(H,20,21);1H
InChIKeyGAUHDHONMRNIGV-UHFFFAOYSA-N
XLogP4.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.98
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]heptanamide;hydrochloride
CID 119765182
7-amino-N-[[1-(3-methylphenyl)cyclopentyl]methyl]heptanamide;hydrochloride
CID 119770559
7-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]heptanamide
CID 119769932
(2R)-2-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]propanamide
CID 119332541
4-(aminomethyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzamide
CID 119332535
3-thiophen-2-yl-N-[(1-thiophen-2-ylcyclopentyl)methyl]prop-2-enamide
CID 71960903
7-amino-N-[(1-benzylcyclobutyl)methyl]heptanamide;hydrochloride
CID 119821633
7-amino-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]heptanamide
CID 119749608
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]acetamide;hydrochloride
CID 119799189
1-(4-hydroxycyclohexyl)-3-[(1-thiophen-2-ylcyclohexyl)methyl]urea
CID 111440825
4-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]butanamide;hydrochloride
CID 119315672
1-cyclohexyl-3-[(1-thiophen-2-ylcyclopropyl)methyl]urea
CID 30522444

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]heptanamide;hydrochloride (CID 119799163) is 7-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]heptanamide;hydrochloride is Cl.NCCCCCCC(=O)NCC1(c2cccs2)CCCCC1.
What is the InChIKey of 7-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]heptanamide;hydrochloride?
The InChIKey is GAUHDHONMRNIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2OS.ClH/c19-13-7-2-1-4-10-17(21)20-15-18(11-5-3-6-12-18)16-9-8-14-22-16;/h8-9,14H,1-7,10-13,15,19H2,(H,20,21);1H.
What are the key properties of 7-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]heptanamide;hydrochloride?
7-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]heptanamide;hydrochloride has a molecular weight of 358.98 g/mol, XLogP of 4.40, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]heptanamide;hydrochloride is sourced from PubChem (CID 119799163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).