N-[[2-(aminomethyl)cyclopentyl]methyl]-3-methylpentanamide

C13H26N2O — CID 114877154

IUPACN-[[2-(aminomethyl)cyclopentyl]methyl]-3-methylpentanamide
SMILESCCC(C)CC(=O)NCC1CCCC1CN
InChIInChI=1S/C13H26N2O/c1-3-10(2)7-13(16)15-9-12-6-4-5-11(12)8-14/h10-12H,3-9,14H2,1-2H3,(H,15,16)
InChIKeyWRXOEMLBVAKEQQ-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.91
Rot. Bonds6

About N-[[2-(aminomethyl)cyclopentyl]methyl]-3-methylpentanamide

N-[[2-(aminomethyl)cyclopentyl]methyl]-3-methylpentanamide (PubChem CID 114877154) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[[2-(aminomethyl)cyclopentyl]methyl]-3-methylpentanamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)cyclopentyl]methyl]-3-methylpentanamide
PubChem CID114877154
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[[2-(aminomethyl)cyclopentyl]methyl]-3-methylpentanamide
SMILESCCC(C)CC(=O)NCC1CCCC1CN
InChIInChI=1S/C13H26N2O/c1-3-10(2)7-13(16)15-9-12-6-4-5-11(12)8-14/h10-12H,3-9,14H2,1-2H3,(H,15,16)
InChIKeyWRXOEMLBVAKEQQ-UHFFFAOYSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(hydroxymethyl)cyclopentyl]methyl]-3-methylpentanamide
CID 114875423
4-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide
CID 81080200
N-[(3-chlorocyclohexyl)methyl]-3-methylpentanamide
CID 106132381
3-[[2-(aminomethyl)cyclopentyl]methyl]-1,1-dimethylurea
CID 79153657
N-[[2-(aminomethyl)cyclopentyl]methyl]-2-(2-methoxyethoxy)acetamide
CID 114032046
3-methyl-N-(piperidin-2-ylmethyl)pentanamide
CID 114874123
N-[[2-(aminomethyl)cyclohexyl]methyl]-2-propoxyacetamide
CID 107941610
N-[[2-(aminomethyl)cyclohexyl]methyl]-2-propylpentanamide
CID 82986917
N-[2-(chloromethyl)cyclopentyl]-3-methylpentanamide
CID 106366056
N-[(1-hydroxycyclopentyl)methyl]-3-methylpentanamide
CID 114875416
N-(2-aminocyclohexyl)-3-methylpentanamide
CID 114875574
N-[2-(cyclopropylamino)ethyl]-3-methylpentanamide
CID 114875591

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)cyclopentyl]methyl]-3-methylpentanamide?
The IUPAC name of N-[[2-(aminomethyl)cyclopentyl]methyl]-3-methylpentanamide (CID 114877154) is N-[[2-(aminomethyl)cyclopentyl]methyl]-3-methylpentanamide.
What is the SMILES notation for N-[[2-(aminomethyl)cyclopentyl]methyl]-3-methylpentanamide?
The canonical SMILES for N-[[2-(aminomethyl)cyclopentyl]methyl]-3-methylpentanamide is CCC(C)CC(=O)NCC1CCCC1CN.
What is the InChIKey of N-[[2-(aminomethyl)cyclopentyl]methyl]-3-methylpentanamide?
The InChIKey is WRXOEMLBVAKEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-10(2)7-13(16)15-9-12-6-4-5-11(12)8-14/h10-12H,3-9,14H2,1-2H3,(H,15,16).
What are the key properties of N-[[2-(aminomethyl)cyclopentyl]methyl]-3-methylpentanamide?
N-[[2-(aminomethyl)cyclopentyl]methyl]-3-methylpentanamide has a molecular weight of 226.36 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)cyclopentyl]methyl]-3-methylpentanamide is sourced from PubChem (CID 114877154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).