N-[1-(aminomethyl)cyclopentyl]-2-(5-phenyltetrazol-2-yl)propanamide

C16H22N6O — CID 119568560

IUPACN-[1-(aminomethyl)cyclopentyl]-2-(5-phenyltetrazol-2-yl)propanamide
SMILESCC(C(=O)NC1(CN)CCCC1)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C16H22N6O/c1-12(15(23)18-16(11-17)9-5-6-10-16)22-20-14(19-21-22)13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11,17H2,1H3,(H,18,23)
InChIKeyCMZPIUPFNWTYDK-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.29
Rot. Bonds5

About N-[1-(aminomethyl)cyclopentyl]-2-(5-phenyltetrazol-2-yl)propanamide

N-[1-(aminomethyl)cyclopentyl]-2-(5-phenyltetrazol-2-yl)propanamide (PubChem CID 119568560) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2-(5-phenyltetrazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2-(5-phenyltetrazol-2-yl)propanamide
PubChem CID119568560
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2-(5-phenyltetrazol-2-yl)propanamide
SMILESCC(C(=O)NC1(CN)CCCC1)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C16H22N6O/c1-12(15(23)18-16(11-17)9-5-6-10-16)22-20-14(19-21-22)13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11,17H2,1H3,(H,18,23)
InChIKeyCMZPIUPFNWTYDK-UHFFFAOYSA-N
XLogP1.29
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-2-(5-phenyltetrazol-2-yl)acetamide;hydrochloride
CID 119567346
N-[3-(methylamino)propyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 119434349
N-(1-amino-4-methylpentan-2-yl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 119588881
N-[2-(methylamino)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 119504464
N-[(1-hydroxycyclopentyl)methyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide
CID 111333121
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(5-phenyltetrazol-2-yl)propan-1-one
CID 120808963
2,2-dimethyl-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]propanoic acid
CID 119250098
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(5-phenyltetrazol-2-yl)propan-1-one;hydrochloride
CID 120808962
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 120889053
N-(2-amino-2-ethylbutyl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 119644028
3-ethoxy-2,2-dimethyl-1-[2-(5-phenyltetrazol-2-yl)propanoylamino]cyclobutane-1-carboxylic acid
CID 120700397
N-(2-methylphenyl)-2-(5-phenyltetrazol-2-yl)propanamide
CID 84602572

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(5-phenyltetrazol-2-yl)propanamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(5-phenyltetrazol-2-yl)propanamide (CID 119568560) is N-[1-(aminomethyl)cyclopentyl]-2-(5-phenyltetrazol-2-yl)propanamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2-(5-phenyltetrazol-2-yl)propanamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2-(5-phenyltetrazol-2-yl)propanamide is CC(C(=O)NC1(CN)CCCC1)n1nnc(-c2ccccc2)n1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2-(5-phenyltetrazol-2-yl)propanamide?
The InChIKey is CMZPIUPFNWTYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-12(15(23)18-16(11-17)9-5-6-10-16)22-20-14(19-21-22)13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11,17H2,1H3,(H,18,23).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2-(5-phenyltetrazol-2-yl)propanamide?
N-[1-(aminomethyl)cyclopentyl]-2-(5-phenyltetrazol-2-yl)propanamide has a molecular weight of 314.39 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-2-(5-phenyltetrazol-2-yl)propanamide is sourced from PubChem (CID 119568560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).