3-amino-N-[1-(hydroxymethyl)cyclohexyl]butanamide

C11H22N2O2 — CID 62552043

IUPAC3-amino-N-[1-(hydroxymethyl)cyclohexyl]butanamide
SMILESCC(N)CC(=O)NC1(CO)CCCCC1
InChIInChI=1S/C11H22N2O2/c1-9(12)7-10(15)13-11(8-14)5-3-2-4-6-11/h9,14H,2-8,12H2,1H3,(H,13,15)
InChIKeySSMPEWIXETWHSV-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.54
Rot. Bonds4

About 3-amino-N-[1-(hydroxymethyl)cyclohexyl]butanamide

3-amino-N-[1-(hydroxymethyl)cyclohexyl]butanamide (PubChem CID 62552043) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-amino-N-[1-(hydroxymethyl)cyclohexyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[1-(hydroxymethyl)cyclohexyl]butanamide
PubChem CID62552043
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-amino-N-[1-(hydroxymethyl)cyclohexyl]butanamide
SMILESCC(N)CC(=O)NC1(CO)CCCCC1
InChIInChI=1S/C11H22N2O2/c1-9(12)7-10(15)13-11(8-14)5-3-2-4-6-11/h9,14H,2-8,12H2,1H3,(H,13,15)
InChIKeySSMPEWIXETWHSV-UHFFFAOYSA-N
XLogP0.54
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]butanamide
CID 62553215
5-amino-N-[1-(hydroxymethyl)cyclopentyl]hexanamide
CID 82851755
3-amino-N-[1-(2-amino-2-oxoethyl)cyclobutyl]butanamide
CID 119820639
3-amino-N-[1-(hydroxymethyl)cyclohexyl]propanamide
CID 62553033
N-[1-(hydroxymethyl)cyclopentyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242231
2-[1-[(4-amino-3-methylbutanoyl)amino]cyclohexyl]acetic acid
CID 81080778
2-chloro-N-[1-(hydroxymethyl)cyclohexyl]propanamide
CID 62551130
2-bromo-N-[1-(hydroxymethyl)cyclohexyl]propanamide
CID 107905156
N-[1-(hydroxymethyl)cyclopropyl]-3,4,4-trimethylpentanamide
CID 115877710
(2S)-2-amino-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbutanamide
CID 104873901
2-bromo-N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide
CID 62551131
2-acetamido-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62519619

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(hydroxymethyl)cyclohexyl]butanamide?
The IUPAC name of 3-amino-N-[1-(hydroxymethyl)cyclohexyl]butanamide (CID 62552043) is 3-amino-N-[1-(hydroxymethyl)cyclohexyl]butanamide.
What is the SMILES notation for 3-amino-N-[1-(hydroxymethyl)cyclohexyl]butanamide?
The canonical SMILES for 3-amino-N-[1-(hydroxymethyl)cyclohexyl]butanamide is CC(N)CC(=O)NC1(CO)CCCCC1.
What is the InChIKey of 3-amino-N-[1-(hydroxymethyl)cyclohexyl]butanamide?
The InChIKey is SSMPEWIXETWHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(12)7-10(15)13-11(8-14)5-3-2-4-6-11/h9,14H,2-8,12H2,1H3,(H,13,15).
What are the key properties of 3-amino-N-[1-(hydroxymethyl)cyclohexyl]butanamide?
3-amino-N-[1-(hydroxymethyl)cyclohexyl]butanamide has a molecular weight of 214.31 g/mol, XLogP of 0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(hydroxymethyl)cyclohexyl]butanamide is sourced from PubChem (CID 62552043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).