4-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide

C12H24N2O2 — CID 81080200

IUPAC4-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide
SMILESCC(CN)CC(=O)NCC1CCCC1CO
InChIInChI=1S/C12H24N2O2/c1-9(6-13)5-12(16)14-7-10-3-2-4-11(10)8-15/h9-11,15H,2-8,13H2,1H3,(H,14,16)
InChIKeyNOJVSSFFBXLCIF-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.50
Rot. Bonds6

About 4-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide

4-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide (PubChem CID 81080200) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide
PubChem CID81080200
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide
SMILESCC(CN)CC(=O)NCC1CCCC1CO
InChIInChI=1S/C12H24N2O2/c1-9(6-13)5-12(16)14-7-10-3-2-4-11(10)8-15/h9-11,15H,2-8,13H2,1H3,(H,14,16)
InChIKeyNOJVSSFFBXLCIF-UHFFFAOYSA-N
XLogP0.50
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(hydroxymethyl)cyclopentyl]methyl]-3-methylpentanamide
CID 114875423
N-[[2-(aminomethyl)cyclopentyl]methyl]-3-methylpentanamide
CID 114877154
4-amino-3-methyl-N-[(4-methylcyclohexyl)methyl]butanamide
CID 81079716
4-hydroxy-N-[[2-(hydroxymethyl)cyclohexyl]methyl]pentanamide
CID 79191808
3-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2-methoxypropanamide
CID 106113069
4-amino-N-cyclobutyl-3-methylbutanamide
CID 81086885
N-[[2-(hydroxymethyl)cyclohexyl]methyl]-3-piperidin-3-ylbutanamide
CID 81049792
4-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296156
4-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 81075819
1-(aminomethyl)-N-[[2-(hydroxymethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide
CID 115437973
4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylbutanamide
CID 106175744
4-amino-N-(2-cyclohexyl-2-methylpropyl)-3-methylbutanamide
CID 115156526

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide?
The IUPAC name of 4-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide (CID 81080200) is 4-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide.
What is the SMILES notation for 4-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide?
The canonical SMILES for 4-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide is CC(CN)CC(=O)NCC1CCCC1CO.
What is the InChIKey of 4-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide?
The InChIKey is NOJVSSFFBXLCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(6-13)5-12(16)14-7-10-3-2-4-11(10)8-15/h9-11,15H,2-8,13H2,1H3,(H,14,16).
What are the key properties of 4-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide?
4-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide has a molecular weight of 228.34 g/mol, XLogP of 0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide is sourced from PubChem (CID 81080200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).