7-amino-N-(4-butylcyclohexyl)heptanamide;hydrochloride

C17H35ClN2O — CID 119750320

IUPAC7-amino-N-(4-butylcyclohexyl)heptanamide;hydrochloride
SMILESCCCCC1CCC(NC(=O)CCCCCCN)CC1.Cl
InChIInChI=1S/C17H34N2O.ClH/c1-2-3-8-15-10-12-16(13-11-15)19-17(20)9-6-4-5-7-14-18;/h15-16H,2-14,18H2,1H3,(H,19,20);1H
InChIKeyZPEWNVXDOFORIN-UHFFFAOYSA-N
MW318.93 g/mol
LogP4.18
Rot. Bonds10

About 7-amino-N-(4-butylcyclohexyl)heptanamide;hydrochloride

7-amino-N-(4-butylcyclohexyl)heptanamide;hydrochloride (PubChem CID 119750320) has the molecular formula C17H35ClN2O and a molecular weight of 318.93 g/mol. Its IUPAC name is 7-amino-N-(4-butylcyclohexyl)heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-(4-butylcyclohexyl)heptanamide;hydrochloride
PubChem CID119750320
Molecular FormulaC17H35ClN2O
Molecular Weight318.93 g/mol
Exact Mass318.24
IUPAC Name7-amino-N-(4-butylcyclohexyl)heptanamide;hydrochloride
SMILESCCCCC1CCC(NC(=O)CCCCCCN)CC1.Cl
InChIInChI=1S/C17H34N2O.ClH/c1-2-3-8-15-10-12-16(13-11-15)19-17(20)9-6-4-5-7-14-18;/h15-16H,2-14,18H2,1H3,(H,19,20);1H
InChIKeyZPEWNVXDOFORIN-UHFFFAOYSA-N
XLogP4.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.93
LogP ≤ 54.18
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

7-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]heptanamide
CID 43698547
6-amino-N-(4-methylcycloheptyl)hexanamide
CID 114100037
6-amino-N-(1-propylpiperidin-4-yl)hexanamide
CID 61276354
5-oxo-5-[(4-propylcyclohexyl)amino]pentanoic acid
CID 54962890
4-(7-aminoheptanoylamino)cyclohexane-1-carboxylic acid
CID 61160664
N,N'-dicyclopropyldecanediamide
CID 4668836
N-(4-hydroxycyclohexyl)dodecanamide
CID 61380713
N-cyclobutylhexadecanamide
CID 67041463
N-cyclobutylicosanamide
CID 10384249
7-amino-N-(1-methylpiperidin-4-yl)heptanamide
CID 43373568
2-(4-aminophenyl)-N-(4-butylcyclohexyl)acetamide;hydrochloride
CID 119750326
N-cyclohexyltetradecanamide
CID 10244853

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(4-butylcyclohexyl)heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-(4-butylcyclohexyl)heptanamide;hydrochloride (CID 119750320) is 7-amino-N-(4-butylcyclohexyl)heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-(4-butylcyclohexyl)heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-(4-butylcyclohexyl)heptanamide;hydrochloride is CCCCC1CCC(NC(=O)CCCCCCN)CC1.Cl.
What is the InChIKey of 7-amino-N-(4-butylcyclohexyl)heptanamide;hydrochloride?
The InChIKey is ZPEWNVXDOFORIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O.ClH/c1-2-3-8-15-10-12-16(13-11-15)19-17(20)9-6-4-5-7-14-18;/h15-16H,2-14,18H2,1H3,(H,19,20);1H.
What are the key properties of 7-amino-N-(4-butylcyclohexyl)heptanamide;hydrochloride?
7-amino-N-(4-butylcyclohexyl)heptanamide;hydrochloride has a molecular weight of 318.93 g/mol, XLogP of 4.18, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(4-butylcyclohexyl)heptanamide;hydrochloride is sourced from PubChem (CID 119750320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).