N-(2-aminophenyl)-4-butylcyclohexane-1-carboxamide;hydrochloride

C17H27ClN2O — CID 91659324

IUPACN-(2-aminophenyl)-4-butylcyclohexane-1-carboxamide;hydrochloride
SMILESCCCCC1CCC(C(=O)Nc2ccccc2N)CC1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-2-3-6-13-9-11-14(12-10-13)17(20)19-16-8-5-4-7-15(16)18;/h4-5,7-8,13-14H,2-3,6,9-12,18H2,1H3,(H,19,20);1H
InChIKeyFQYVPMWLRYBPHR-UHFFFAOYSA-N
MW310.87 g/mol
LogP4.63
Rot. Bonds5

About N-(2-aminophenyl)-4-butylcyclohexane-1-carboxamide;hydrochloride

N-(2-aminophenyl)-4-butylcyclohexane-1-carboxamide;hydrochloride (PubChem CID 91659324) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-butylcyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-butylcyclohexane-1-carboxamide;hydrochloride
PubChem CID91659324
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC NameN-(2-aminophenyl)-4-butylcyclohexane-1-carboxamide;hydrochloride
SMILESCCCCC1CCC(C(=O)Nc2ccccc2N)CC1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-2-3-6-13-9-11-14(12-10-13)17(20)19-16-8-5-4-7-15(16)18;/h4-5,7-8,13-14H,2-3,6,9-12,18H2,1H3,(H,19,20);1H
InChIKeyFQYVPMWLRYBPHR-UHFFFAOYSA-N
XLogP4.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-butylcyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminophenyl)-4-butylcyclohexane-1-carboxamide;hydrochloride (CID 91659324) is N-(2-aminophenyl)-4-butylcyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminophenyl)-4-butylcyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminophenyl)-4-butylcyclohexane-1-carboxamide;hydrochloride is CCCCC1CCC(C(=O)Nc2ccccc2N)CC1.Cl.
What is the InChIKey of N-(2-aminophenyl)-4-butylcyclohexane-1-carboxamide;hydrochloride?
The InChIKey is FQYVPMWLRYBPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-2-3-6-13-9-11-14(12-10-13)17(20)19-16-8-5-4-7-15(16)18;/h4-5,7-8,13-14H,2-3,6,9-12,18H2,1H3,(H,19,20);1H.
What are the key properties of N-(2-aminophenyl)-4-butylcyclohexane-1-carboxamide;hydrochloride?
N-(2-aminophenyl)-4-butylcyclohexane-1-carboxamide;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-butylcyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 91659324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).