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

C13H25NO2 — CID 114875423

IUPACN-[[2-(hydroxymethyl)cyclopentyl]methyl]-3-methylpentanamide
SMILESCCC(C)CC(=O)NCC1CCCC1CO
InChIInChI=1S/C13H25NO2/c1-3-10(2)7-13(16)14-8-11-5-4-6-12(11)9-15/h10-12,15H,3-9H2,1-2H3,(H,14,16)
InChIKeyABTWAYGMSHWDQJ-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.95
Rot. Bonds6

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

N-[[2-(hydroxymethyl)cyclopentyl]methyl]-3-methylpentanamide (PubChem CID 114875423) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[[2-(hydroxymethyl)cyclopentyl]methyl]-3-methylpentanamide.

Molecular Properties

Compound NameN-[[2-(hydroxymethyl)cyclopentyl]methyl]-3-methylpentanamide
PubChem CID114875423
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-[[2-(hydroxymethyl)cyclopentyl]methyl]-3-methylpentanamide
SMILESCCC(C)CC(=O)NCC1CCCC1CO
InChIInChI=1S/C13H25NO2/c1-3-10(2)7-13(16)14-8-11-5-4-6-12(11)9-15/h10-12,15H,3-9H2,1-2H3,(H,14,16)
InChIKeyABTWAYGMSHWDQJ-UHFFFAOYSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(aminomethyl)cyclopentyl]methyl]-3-methylpentanamide
CID 114877154
4-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide
CID 81080200
4-hydroxy-N-[[2-(hydroxymethyl)cyclohexyl]methyl]pentanamide
CID 79191808
N-[(3-chlorocyclohexyl)methyl]-3-methylpentanamide
CID 106132381
N-[[2-(hydroxymethyl)cyclohexyl]methyl]-3-piperidin-3-ylbutanamide
CID 81049792
3-methyl-N-(piperidin-2-ylmethyl)pentanamide
CID 114874123
N-[2-(chloromethyl)cyclopentyl]-3-methylpentanamide
CID 106366056
N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66478079
N-[(1-hydroxycyclopentyl)methyl]-3-methylpentanamide
CID 114875416
N-[2-(cyclopropylamino)ethyl]-3-methylpentanamide
CID 114875591
N-[[2-(hydroxymethyl)cyclohexyl]methyl]but-2-enamide
CID 77104592
N-[[2-(hydroxymethyl)cyclohexyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603195

Frequently Asked Questions

What is the IUPAC name of N-[[2-(hydroxymethyl)cyclopentyl]methyl]-3-methylpentanamide?
The IUPAC name of N-[[2-(hydroxymethyl)cyclopentyl]methyl]-3-methylpentanamide (CID 114875423) is N-[[2-(hydroxymethyl)cyclopentyl]methyl]-3-methylpentanamide.
What is the SMILES notation for N-[[2-(hydroxymethyl)cyclopentyl]methyl]-3-methylpentanamide?
The canonical SMILES for N-[[2-(hydroxymethyl)cyclopentyl]methyl]-3-methylpentanamide is CCC(C)CC(=O)NCC1CCCC1CO.
What is the InChIKey of N-[[2-(hydroxymethyl)cyclopentyl]methyl]-3-methylpentanamide?
The InChIKey is ABTWAYGMSHWDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-10(2)7-13(16)14-8-11-5-4-6-12(11)9-15/h10-12,15H,3-9H2,1-2H3,(H,14,16).
What are the key properties of N-[[2-(hydroxymethyl)cyclopentyl]methyl]-3-methylpentanamide?
N-[[2-(hydroxymethyl)cyclopentyl]methyl]-3-methylpentanamide has a molecular weight of 227.35 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(hydroxymethyl)cyclopentyl]methyl]-3-methylpentanamide is sourced from PubChem (CID 114875423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).