2-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide

C11H22N2O2 — CID 107221949

IUPAC2-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide
SMILESCCC(CN)C(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C11H22N2O2/c1-2-8(7-12)11(15)13-9-5-3-4-6-10(9)14/h8-10,14H,2-7,12H2,1H3,(H,13,15)/t8?,9-,10-/m1/s1
InChIKeyUTQJEXVJUIWOCC-VXRWAFEHSA-N
MW214.31 g/mol
LogP0.39
Rot. Bonds4

About 2-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide

2-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide (PubChem CID 107221949) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide
PubChem CID107221949
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide
SMILESCCC(CN)C(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C11H22N2O2/c1-2-8(7-12)11(15)13-9-5-3-4-6-10(9)14/h8-10,14H,2-7,12H2,1H3,(H,13,15)/t8?,9-,10-/m1/s1
InChIKeyUTQJEXVJUIWOCC-VXRWAFEHSA-N
XLogP0.39
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 ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4,4-dimethylpentanamide
CID 107472961
N-(2-hydroxycyclopentyl)-2-(hydroxymethyl)butanamide
CID 70915127
2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide
CID 107221502
N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbutanamide
CID 104957388
(2S)-2-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methylpentanamide
CID 107221962
2-(aminomethyl)-N-(2-methylcyclopropyl)butanamide
CID 62397142
(2S)-N-[(1S,2R)-2-hydroxycyclohexyl]-2-methylsulfanylbutanamide
CID 124855975
4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylbutanamide
CID 107222022
2-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-hydroxycyclohexyl)butanamide
CID 55064087
2-[2-(aminomethyl)pentanoylamino]cyclohexane-1-carboxylic acid
CID 65228027
2-amino-N-(2-hydroxycyclohexyl)-3,3-dimethylbutanamide
CID 68925169
3-(ethylamino)-N-(2-hydroxycycloheptyl)-2-methylpropanamide
CID 113394748

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide?
The IUPAC name of 2-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide (CID 107221949) is 2-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide is CCC(CN)C(=O)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of 2-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide?
The InChIKey is UTQJEXVJUIWOCC-VXRWAFEHSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-8(7-12)11(15)13-9-5-3-4-6-10(9)14/h8-10,14H,2-7,12H2,1H3,(H,13,15)/t8?,9-,10-/m1/s1.
What are the key properties of 2-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide?
2-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide has a molecular weight of 214.31 g/mol, XLogP of 0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide is sourced from PubChem (CID 107221949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).