N-(6-aminohexyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;hydrochloride

C17H35ClN2O — CID 140775988

IUPACN-(6-aminohexyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;hydrochloride
SMILESCC1CCC(C(C)C)C(C(=O)NCCCCCCN)C1.Cl
InChIInChI=1S/C17H34N2O.ClH/c1-13(2)15-9-8-14(3)12-16(15)17(20)19-11-7-5-4-6-10-18;/h13-16H,4-12,18H2,1-3H3,(H,19,20);1H
InChIKeyOIGQFHIERZYPNS-UHFFFAOYSA-N
MW318.93 g/mol
LogP3.75
Rot. Bonds8

About N-(6-aminohexyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;hydrochloride

N-(6-aminohexyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;hydrochloride (PubChem CID 140775988) has the molecular formula C17H35ClN2O and a molecular weight of 318.93 g/mol. Its IUPAC name is N-(6-aminohexyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(6-aminohexyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;hydrochloride
PubChem CID140775988
Molecular FormulaC17H35ClN2O
Molecular Weight318.93 g/mol
Exact Mass318.24
IUPAC NameN-(6-aminohexyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;hydrochloride
SMILESCC1CCC(C(C)C)C(C(=O)NCCCCCCN)C1.Cl
InChIInChI=1S/C17H34N2O.ClH/c1-13(2)15-9-8-14(3)12-16(15)17(20)19-11-7-5-4-6-10-18;/h13-16H,4-12,18H2,1-3H3,(H,19,20);1H
InChIKeyOIGQFHIERZYPNS-UHFFFAOYSA-N
XLogP3.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.93
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-decyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 154148941
N-[2-[(2-aminoacetyl)amino]ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 140775965
(1R,2S,5R)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 7168187
trans-(1R,2S)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 89464561
(1R)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 90384157
(1R,2S,5R)-N,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 58330084
5-methyl-N-(2-phenylethyl)-2-propan-2-ylcyclohexane-1-carboxamide
CID 68625601
(1R,2R,5S)-N-[2-(N-(2-aminoacetyl)anilino)ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 24996015
(1R,2S,5R)-N-[(2S)-2-[[(3S)-3-aminobut-1-en-2-yl]amino]-4-methylpentyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;hydrochloride
CID 126617158
(1R,2S,5R)-N-[(4Z,6Z)-7-amino-3-methylidenehepta-4,6-dienyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 89213688
(1R,2S,5R)-N-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 126647509
5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 66645461

Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of N-(6-aminohexyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;hydrochloride (CID 140775988) is N-(6-aminohexyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(6-aminohexyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(6-aminohexyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;hydrochloride is CC1CCC(C(C)C)C(C(=O)NCCCCCCN)C1.Cl.
What is the InChIKey of N-(6-aminohexyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;hydrochloride?
The InChIKey is OIGQFHIERZYPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O.ClH/c1-13(2)15-9-8-14(3)12-16(15)17(20)19-11-7-5-4-6-10-18;/h13-16H,4-12,18H2,1-3H3,(H,19,20);1H.
What are the key properties of N-(6-aminohexyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;hydrochloride?
N-(6-aminohexyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;hydrochloride has a molecular weight of 318.93 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 140775988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).