N-(6-aminohexyl)-1-phenylcyclopentane-1-carboxamide;hydrochloride

C18H29ClN2O — CID 142770343

IUPACN-(6-aminohexyl)-1-phenylcyclopentane-1-carboxamide;hydrochloride
SMILESCl.NCCCCCCNC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C18H28N2O.ClH/c19-14-8-1-2-9-15-20-17(21)18(12-6-7-13-18)16-10-4-3-5-11-16;/h3-5,10-11H,1-2,6-9,12-15,19H2,(H,20,21);1H
InChIKeyNAEGTDQDZKLVAP-UHFFFAOYSA-N
MW324.90 g/mol
LogP3.56
Rot. Bonds8

About N-(6-aminohexyl)-1-phenylcyclopentane-1-carboxamide;hydrochloride

N-(6-aminohexyl)-1-phenylcyclopentane-1-carboxamide;hydrochloride (PubChem CID 142770343) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is N-(6-aminohexyl)-1-phenylcyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(6-aminohexyl)-1-phenylcyclopentane-1-carboxamide;hydrochloride
PubChem CID142770343
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC NameN-(6-aminohexyl)-1-phenylcyclopentane-1-carboxamide;hydrochloride
SMILESCl.NCCCCCCNC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C18H28N2O.ClH/c19-14-8-1-2-9-15-20-17(21)18(12-6-7-13-18)16-10-4-3-5-11-16;/h3-5,10-11H,1-2,6-9,12-15,19H2,(H,20,21);1H
InChIKeyNAEGTDQDZKLVAP-UHFFFAOYSA-N
XLogP3.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 53.56
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-(6-aminohexyl)-1-phenylcyclopropane-1-carboxamide
CID 107844202
N-(2-aminoethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride
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N-(3-amino-3-oxopropyl)-1-phenylcyclopentane-1-carboxamide
CID 110473789
N-[3-(dimethylamino)propyl]-1-phenylcyclobutane-1-carboxamide
CID 110437520
N-(3-iodopropyl)-1-phenylcyclopropane-1-carboxamide
CID 114504381
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764
N-(2-aminoethyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119384814
N-(2-phenoxyethyl)-1-phenylcyclopentane-1-carboxamide
CID 100543641
1-phenyl-N-(2-phenylsulfanylethyl)cyclopentane-1-carboxamide
CID 39630901
1-(4-fluorophenyl)-N-(4-phenylbutyl)cyclohexane-1-carboxamide
CID 58842299
1-phenyl-N-(3-piperazin-1-ylpropyl)cyclopentane-1-carboxamide
CID 119393727
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 103970193

Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexyl)-1-phenylcyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of N-(6-aminohexyl)-1-phenylcyclopentane-1-carboxamide;hydrochloride (CID 142770343) is N-(6-aminohexyl)-1-phenylcyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(6-aminohexyl)-1-phenylcyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(6-aminohexyl)-1-phenylcyclopentane-1-carboxamide;hydrochloride is Cl.NCCCCCCNC(=O)C1(c2ccccc2)CCCC1.
What is the InChIKey of N-(6-aminohexyl)-1-phenylcyclopentane-1-carboxamide;hydrochloride?
The InChIKey is NAEGTDQDZKLVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O.ClH/c19-14-8-1-2-9-15-20-17(21)18(12-6-7-13-18)16-10-4-3-5-11-16;/h3-5,10-11H,1-2,6-9,12-15,19H2,(H,20,21);1H.
What are the key properties of N-(6-aminohexyl)-1-phenylcyclopentane-1-carboxamide;hydrochloride?
N-(6-aminohexyl)-1-phenylcyclopentane-1-carboxamide;hydrochloride has a molecular weight of 324.90 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)-1-phenylcyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 142770343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).