3-amino-N-[3-(aminomethyl)pentan-3-yl]cyclopentane-1-carboxamide

C12H25N3O — CID 122080567

IUPAC3-amino-N-[3-(aminomethyl)pentan-3-yl]cyclopentane-1-carboxamide
SMILESCCC(CC)(CN)NC(=O)C1CCC(N)C1
InChIInChI=1S/C12H25N3O/c1-3-12(4-2,8-13)15-11(16)9-5-6-10(14)7-9/h9-10H,3-8,13-14H2,1-2H3,(H,15,16)
InChIKeyRGCVZPGSWQUDAF-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.75
Rot. Bonds5

About 3-amino-N-[3-(aminomethyl)pentan-3-yl]cyclopentane-1-carboxamide

3-amino-N-[3-(aminomethyl)pentan-3-yl]cyclopentane-1-carboxamide (PubChem CID 122080567) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-amino-N-[3-(aminomethyl)pentan-3-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(aminomethyl)pentan-3-yl]cyclopentane-1-carboxamide
PubChem CID122080567
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name3-amino-N-[3-(aminomethyl)pentan-3-yl]cyclopentane-1-carboxamide
SMILESCCC(CC)(CN)NC(=O)C1CCC(N)C1
InChIInChI=1S/C12H25N3O/c1-3-12(4-2,8-13)15-11(16)9-5-6-10(14)7-9/h9-10H,3-8,13-14H2,1-2H3,(H,15,16)
InChIKeyRGCVZPGSWQUDAF-UHFFFAOYSA-N
XLogP0.75
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[3-(aminomethyl)pentan-3-yl]cyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[3-(hydroxymethyl)pentan-3-yl]cyclohexane-1-carboxamide
CID 63045589
N-[3-(aminomethyl)pentan-3-yl]-1-methylpyrrolidine-3-carboxamide
CID 63887978
N-[3-(aminomethyl)pentan-3-yl]oxane-4-carboxamide;hydrochloride
CID 119568602
N-[3-(aminomethyl)pentan-3-yl]-2-methylcyclopentane-1-carboxamide
CID 107180771
3-amino-N-(2,4,4-trimethylpentan-2-yl)cyclopentane-1-carboxamide
CID 66009158
N-[3-(aminomethyl)pentan-3-yl]cyclohex-3-ene-1-carboxamide
CID 63888954
4-(aminomethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]cyclohexane-1-carboxamide
CID 107865545
3-amino-N-(1-amino-2-cyclopropylpropan-2-yl)cyclohexane-1-carboxamide
CID 122080572
2-[(3-aminocyclopentanecarbonyl)amino]-2-methylpentanoic acid
CID 66010443
4-N-[3-(aminomethyl)pentan-3-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride
CID 119569773
3-amino-N-(2-methylpentan-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119763282
N-(1-amino-2-methylbutan-2-yl)cyclopropanecarboxamide
CID 64551544

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(aminomethyl)pentan-3-yl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[3-(aminomethyl)pentan-3-yl]cyclopentane-1-carboxamide (CID 122080567) is 3-amino-N-[3-(aminomethyl)pentan-3-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(aminomethyl)pentan-3-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[3-(aminomethyl)pentan-3-yl]cyclopentane-1-carboxamide is CCC(CC)(CN)NC(=O)C1CCC(N)C1.
What is the InChIKey of 3-amino-N-[3-(aminomethyl)pentan-3-yl]cyclopentane-1-carboxamide?
The InChIKey is RGCVZPGSWQUDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-3-12(4-2,8-13)15-11(16)9-5-6-10(14)7-9/h9-10H,3-8,13-14H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-N-[3-(aminomethyl)pentan-3-yl]cyclopentane-1-carboxamide?
3-amino-N-[3-(aminomethyl)pentan-3-yl]cyclopentane-1-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(aminomethyl)pentan-3-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 122080567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).