N-(3-aminopropyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride

C16H25ClN2O — CID 119406896

IUPACN-(3-aminopropyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride
SMILESCl.NCCCNC(=O)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C16H24N2O.ClH/c17-11-4-12-18-16(19)15-9-7-14(8-10-15)13-5-2-1-3-6-13;/h1-3,5-6,14-15H,4,7-12,17H2,(H,18,19);1H
InChIKeyQTTYMISHPULQKH-UHFFFAOYSA-N
MW296.84 g/mol
LogP2.85
Rot. Bonds5

About N-(3-aminopropyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride

N-(3-aminopropyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride (PubChem CID 119406896) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride
PubChem CID119406896
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC NameN-(3-aminopropyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride
SMILESCl.NCCCNC(=O)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C16H24N2O.ClH/c17-11-4-12-18-16(19)15-9-7-14(8-10-15)13-5-2-1-3-6-13;/h1-3,5-6,14-15H,4,7-12,17H2,(H,18,19);1H
InChIKeyQTTYMISHPULQKH-UHFFFAOYSA-N
XLogP2.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 52.85
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-(3-aminopropyl)-2-(4-phenylcyclohexyl)acetamide
CID 119407911
N-[2-[(4-phenylcyclohexyl)amino]ethyl]cyclopropanecarboxamide
CID 115572811
N-(3-amino-2-methylpropyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride
CID 119996102
N-(3-aminopropyl)-4-(1-methylindol-3-yl)cyclohexane-1-carboxamide
CID 84613024
N-(2-amino-1-cyclopropylethyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride
CID 119615242
4-phenyl-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide
CID 119535763
N-[4-oxo-4-[(4S)-4-phenylazepan-1-yl]butyl]cyclopropanecarboxamide
CID 95174990
4-phenyl-N-(2-piperidin-3-ylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119557227
4-(aminomethyl)-N-(3-aminopropyl)cyclohexane-1-carboxamide
CID 79527493
N-(3-aminopropyl)cyclohexanecarboxamide
CID 24699018
N-(3-aminopropyl)thiane-4-carboxamide;hydrochloride
CID 119408489
4-amino-N-(4-phenylcyclohexyl)butanamide
CID 43699336

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride (CID 119406896) is N-(3-aminopropyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride is Cl.NCCCNC(=O)C1CCC(c2ccccc2)CC1.
What is the InChIKey of N-(3-aminopropyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride?
The InChIKey is QTTYMISHPULQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c17-11-4-12-18-16(19)15-9-7-14(8-10-15)13-5-2-1-3-6-13;/h1-3,5-6,14-15H,4,7-12,17H2,(H,18,19);1H.
What are the key properties of N-(3-aminopropyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride?
N-(3-aminopropyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119406896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).