4-(aminomethyl)-N-(3-cyclohexylsulfanylpropyl)cyclohexane-1-carboxamide

C17H32N2OS — CID 90126063

IUPAC4-(aminomethyl)-N-(3-cyclohexylsulfanylpropyl)cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)NCCCSC2CCCCC2)CC1
InChIInChI=1S/C17H32N2OS/c18-13-14-7-9-15(10-8-14)17(20)19-11-4-12-21-16-5-2-1-3-6-16/h14-16H,1-13,18H2,(H,19,20)
InChIKeySFONTSMDJIFIDO-UHFFFAOYSA-N
MW312.52 g/mol
LogP3.32
Rot. Bonds7

About 4-(aminomethyl)-N-(3-cyclohexylsulfanylpropyl)cyclohexane-1-carboxamide

4-(aminomethyl)-N-(3-cyclohexylsulfanylpropyl)cyclohexane-1-carboxamide (PubChem CID 90126063) has the molecular formula C17H32N2OS and a molecular weight of 312.52 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3-cyclohexylsulfanylpropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3-cyclohexylsulfanylpropyl)cyclohexane-1-carboxamide
PubChem CID90126063
Molecular FormulaC17H32N2OS
Molecular Weight312.52 g/mol
Exact Mass312.22
IUPAC Name4-(aminomethyl)-N-(3-cyclohexylsulfanylpropyl)cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)NCCCSC2CCCCC2)CC1
InChIInChI=1S/C17H32N2OS/c18-13-14-7-9-15(10-8-14)17(20)19-11-4-12-21-16-5-2-1-3-6-16/h14-16H,1-13,18H2,(H,19,20)
InChIKeySFONTSMDJIFIDO-UHFFFAOYSA-N
XLogP3.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.52
LogP ≤ 53.32
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

4-(aminomethyl)-N-(3-cyclohexylsulfanylpropyl)cyclohexane-1-carboxamide;chlorobenzene;methanol;hydrate
CID 158806782
N-(2-cyclopentylsulfanylethyl)cyclopropanecarboxamide
CID 94101555
N-(3-cyclohexylsulfanylpropyl)-1-methylpiperidine-4-carboxamide
CID 99970726
4-(aminomethyl)-N-(3-aminopropyl)cyclohexane-1-carboxamide
CID 79527493
4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide
CID 104963779
4-(aminomethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide;hydrochloride
CID 165437684
N-(3-aminopropyl)cyclohexanecarboxamide
CID 24699018
4-(aminomethyl)-N-[3-(diethylamino)propyl]cyclohexane-1-carboxamide
CID 55115127
4-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide
CID 106310523
4-(aminomethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]cyclohexane-1-carboxamide
CID 79526623
N-(3-hydroxypropyl)cyclopentanecarboxamide
CID 43392689
1-[[4-(aminomethyl)phenyl]methyl]-3-(3-cyclohexylsulfanylpropyl)urea
CID 131944629

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3-cyclohexylsulfanylpropyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(3-cyclohexylsulfanylpropyl)cyclohexane-1-carboxamide (CID 90126063) is 4-(aminomethyl)-N-(3-cyclohexylsulfanylpropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(3-cyclohexylsulfanylpropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(3-cyclohexylsulfanylpropyl)cyclohexane-1-carboxamide is NCC1CCC(C(=O)NCCCSC2CCCCC2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(3-cyclohexylsulfanylpropyl)cyclohexane-1-carboxamide?
The InChIKey is SFONTSMDJIFIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2OS/c18-13-14-7-9-15(10-8-14)17(20)19-11-4-12-21-16-5-2-1-3-6-16/h14-16H,1-13,18H2,(H,19,20).
What are the key properties of 4-(aminomethyl)-N-(3-cyclohexylsulfanylpropyl)cyclohexane-1-carboxamide?
4-(aminomethyl)-N-(3-cyclohexylsulfanylpropyl)cyclohexane-1-carboxamide has a molecular weight of 312.52 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3-cyclohexylsulfanylpropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 90126063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).