3-amino-N-[(2-hydroxycyclohexyl)methyl]-2-methylbutanamide;hydrochloride

C12H25ClN2O2 — CID 120501252

IUPAC3-amino-N-[(2-hydroxycyclohexyl)methyl]-2-methylbutanamide;hydrochloride
SMILESCC(N)C(C)C(=O)NCC1CCCCC1O.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-8(9(2)13)12(16)14-7-10-5-3-4-6-11(10)15;/h8-11,15H,3-7,13H2,1-2H3,(H,14,16);1H
InChIKeyJAAGJQKMQWKGQV-UHFFFAOYSA-N
MW264.80 g/mol
LogP1.06
Rot. Bonds4

About 3-amino-N-[(2-hydroxycyclohexyl)methyl]-2-methylbutanamide;hydrochloride

3-amino-N-[(2-hydroxycyclohexyl)methyl]-2-methylbutanamide;hydrochloride (PubChem CID 120501252) has the molecular formula C12H25ClN2O2 and a molecular weight of 264.80 g/mol. Its IUPAC name is 3-amino-N-[(2-hydroxycyclohexyl)methyl]-2-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(2-hydroxycyclohexyl)methyl]-2-methylbutanamide;hydrochloride
PubChem CID120501252
Molecular FormulaC12H25ClN2O2
Molecular Weight264.80 g/mol
Exact Mass264.16
IUPAC Name3-amino-N-[(2-hydroxycyclohexyl)methyl]-2-methylbutanamide;hydrochloride
SMILESCC(N)C(C)C(=O)NCC1CCCCC1O.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-8(9(2)13)12(16)14-7-10-5-3-4-6-11(10)15;/h8-11,15H,3-7,13H2,1-2H3,(H,14,16);1H
InChIKeyJAAGJQKMQWKGQV-UHFFFAOYSA-N
XLogP1.06
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 79001441
(2S)-2-amino-N-[(2-hydroxycyclopentyl)methyl]-3-methylbutanamide
CID 79025652
2-chloro-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 64929109
3-amino-2-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]butanamide;hydrochloride
CID 120502267
N-[(2-hydroxycyclohexyl)methyl]-3-methyl-2-sulfanylbutanamide
CID 107031039
N-[2-(2-hydroxycyclohexyl)ethyl]-2,3-dimethylbutanamide
CID 165488206
3-amino-2-methyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butanamide
CID 120502254
3-amino-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride
CID 119330203
2-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 106591529
(2S)-N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-2-phenylpropanamide
CID 129445920
2-hydroxyethyl N-[(2-hydroxycyclohexyl)methyl]carbamate
CID 79349518
(2R)-2-amino-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propanamide
CID 119343054

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-hydroxycyclohexyl)methyl]-2-methylbutanamide;hydrochloride?
The IUPAC name of 3-amino-N-[(2-hydroxycyclohexyl)methyl]-2-methylbutanamide;hydrochloride (CID 120501252) is 3-amino-N-[(2-hydroxycyclohexyl)methyl]-2-methylbutanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(2-hydroxycyclohexyl)methyl]-2-methylbutanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(2-hydroxycyclohexyl)methyl]-2-methylbutanamide;hydrochloride is CC(N)C(C)C(=O)NCC1CCCCC1O.Cl.
What is the InChIKey of 3-amino-N-[(2-hydroxycyclohexyl)methyl]-2-methylbutanamide;hydrochloride?
The InChIKey is JAAGJQKMQWKGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2.ClH/c1-8(9(2)13)12(16)14-7-10-5-3-4-6-11(10)15;/h8-11,15H,3-7,13H2,1-2H3,(H,14,16);1H.
What are the key properties of 3-amino-N-[(2-hydroxycyclohexyl)methyl]-2-methylbutanamide;hydrochloride?
3-amino-N-[(2-hydroxycyclohexyl)methyl]-2-methylbutanamide;hydrochloride has a molecular weight of 264.80 g/mol, XLogP of 1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-hydroxycyclohexyl)methyl]-2-methylbutanamide;hydrochloride is sourced from PubChem (CID 120501252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).