2-amino-N-[(1S,2R)-2-[methyl(propan-2-yl)amino]cyclohexyl]acetamide

C12H25N3O — CID 96554848

IUPAC2-amino-N-[(1S,2R)-2-[methyl(propan-2-yl)amino]cyclohexyl]acetamide
SMILESCC(C)N(C)[C@@H]1CCCC[C@@H]1NC(=O)CN
InChIInChI=1S/C12H25N3O/c1-9(2)15(3)11-7-5-4-6-10(11)14-12(16)8-13/h9-11H,4-8,13H2,1-3H3,(H,14,16)/t10-,11+/m0/s1
InChIKeyOWHBLDUFFFRUGE-WDEREUQCSA-N
MW227.35 g/mol
LogP0.71
Rot. Bonds4

About 2-amino-N-[(1S,2R)-2-[methyl(propan-2-yl)amino]cyclohexyl]acetamide

2-amino-N-[(1S,2R)-2-[methyl(propan-2-yl)amino]cyclohexyl]acetamide (PubChem CID 96554848) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-amino-N-[(1S,2R)-2-[methyl(propan-2-yl)amino]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(1S,2R)-2-[methyl(propan-2-yl)amino]cyclohexyl]acetamide
PubChem CID96554848
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-amino-N-[(1S,2R)-2-[methyl(propan-2-yl)amino]cyclohexyl]acetamide
SMILESCC(C)N(C)[C@@H]1CCCC[C@@H]1NC(=O)CN
InChIInChI=1S/C12H25N3O/c1-9(2)15(3)11-7-5-4-6-10(11)14-12(16)8-13/h9-11H,4-8,13H2,1-3H3,(H,14,16)/t10-,11+/m0/s1
InChIKeyOWHBLDUFFFRUGE-WDEREUQCSA-N
XLogP0.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2S)-2-[acetyl(methyl)amino]cyclohexyl]-2-aminoacetamide
CID 96554525
2-amino-N-[(2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]propanamide
CID 121226200
N-[(1S,2S)-2-[acetyl(ethyl)amino]cyclohexyl]-2-aminoacetamide
CID 96554534
2-amino-N-[(1S,2R)-2-[benzyl(methyl)amino]cyclohexyl]acetamide
CID 96554230
2-amino-N-[(1R,2R)-2-[benzyl(methyl)amino]cyclohexyl]acetamide
CID 124526892
2-[[(1S,2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]amino]ethanol
CID 96554725
tert-butyl N-[2-[(2-aminoacetyl)amino]cyclohexyl]-N-cyclopropylcarbamate
CID 66566246
N-[(1S,2S)-2-[acetyl(propan-2-yl)amino]cyclohexyl]-2-chloroacetamide
CID 96554492
2-amino-N-(2-ethylsulfanylcyclohexyl)acetamide
CID 119337962
2-amino-N-[2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]acetamide
CID 114178743
(2S)-N-[(1S,2S)-2-[acetyl(methyl)amino]cyclohexyl]-2-aminopropanamide
CID 96554576
N-[2-(aminomethyl)cyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide;hydrochloride
CID 119611051

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S,2R)-2-[methyl(propan-2-yl)amino]cyclohexyl]acetamide?
The IUPAC name of 2-amino-N-[(1S,2R)-2-[methyl(propan-2-yl)amino]cyclohexyl]acetamide (CID 96554848) is 2-amino-N-[(1S,2R)-2-[methyl(propan-2-yl)amino]cyclohexyl]acetamide.
What is the SMILES notation for 2-amino-N-[(1S,2R)-2-[methyl(propan-2-yl)amino]cyclohexyl]acetamide?
The canonical SMILES for 2-amino-N-[(1S,2R)-2-[methyl(propan-2-yl)amino]cyclohexyl]acetamide is CC(C)N(C)[C@@H]1CCCC[C@@H]1NC(=O)CN.
What is the InChIKey of 2-amino-N-[(1S,2R)-2-[methyl(propan-2-yl)amino]cyclohexyl]acetamide?
The InChIKey is OWHBLDUFFFRUGE-WDEREUQCSA-N. The full InChI is InChI=1S/C12H25N3O/c1-9(2)15(3)11-7-5-4-6-10(11)14-12(16)8-13/h9-11H,4-8,13H2,1-3H3,(H,14,16)/t10-,11+/m0/s1.
What are the key properties of 2-amino-N-[(1S,2R)-2-[methyl(propan-2-yl)amino]cyclohexyl]acetamide?
2-amino-N-[(1S,2R)-2-[methyl(propan-2-yl)amino]cyclohexyl]acetamide has a molecular weight of 227.35 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S,2R)-2-[methyl(propan-2-yl)amino]cyclohexyl]acetamide is sourced from PubChem (CID 96554848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).