2-amino-N-[(2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]propanamide

C13H27N3O — CID 121226200

IUPAC2-amino-N-[(2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]propanamide
SMILESCC(N)C(=O)NC1CCCC[C@@H]1N(C)C(C)C
InChIInChI=1S/C13H27N3O/c1-9(2)16(4)12-8-6-5-7-11(12)15-13(17)10(3)14/h9-12H,5-8,14H2,1-4H3,(H,15,17)/t10?,11?,12-/m0/s1
InChIKeySJWCBRSIHPELSO-MCIGGMRASA-N
MW241.38 g/mol
LogP1.10
Rot. Bonds4

About 2-amino-N-[(2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]propanamide

2-amino-N-[(2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]propanamide (PubChem CID 121226200) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-amino-N-[(2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[(2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]propanamide
PubChem CID121226200
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-amino-N-[(2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]propanamide
SMILESCC(N)C(=O)NC1CCCC[C@@H]1N(C)C(C)C
InChIInChI=1S/C13H27N3O/c1-9(2)16(4)12-8-6-5-7-11(12)15-13(17)10(3)14/h9-12H,5-8,14H2,1-4H3,(H,15,17)/t10?,11?,12-/m0/s1
InChIKeySJWCBRSIHPELSO-MCIGGMRASA-N
XLogP1.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-[(2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[(1S,2S)-2-[acetyl(methyl)amino]cyclohexyl]-2-aminopropanamide
CID 96554576
2-amino-N-[(1S,2R)-2-[methyl(propan-2-yl)amino]cyclohexyl]acetamide
CID 96554848
(2S)-N-[(1S,2S)-2-[acetyl(methyl)amino]cyclohexyl]-2-amino-3-methylbutanamide
CID 96554628
(2S)-2-amino-N-[(1R,2R)-2-[benzyl(ethyl)amino]cyclohexyl]propanamide
CID 124831484
2-amino-N-(2-tert-butylcyclohexyl)propanamide;hydrochloride
CID 119285417
(2S)-2-amino-N-(2-methylsulfanylcyclopentyl)propanamide
CID 103797253
2-[[(1S,2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]amino]ethanol
CID 96554725
2-amino-N-[2-(aminomethyl)cyclopentyl]propanamide
CID 130609723
2-amino-N-(2-ethylsulfanylcyclohexyl)propanamide;hydrochloride
CID 119337965
(2R)-2-amino-N-(2-ethylsulfanylcyclohexyl)propanamide;hydrochloride
CID 119337969
(2R)-2-amino-N-(2-methylcyclopropyl)propanamide
CID 62398561
2-methyl-N-[(1R,2R)-2-(2-methylpropanoylamino)cyclohexyl]propanamide
CID 10422463

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]propanamide?
The IUPAC name of 2-amino-N-[(2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]propanamide (CID 121226200) is 2-amino-N-[(2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]propanamide.
What is the SMILES notation for 2-amino-N-[(2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]propanamide?
The canonical SMILES for 2-amino-N-[(2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]propanamide is CC(N)C(=O)NC1CCCC[C@@H]1N(C)C(C)C.
What is the InChIKey of 2-amino-N-[(2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]propanamide?
The InChIKey is SJWCBRSIHPELSO-MCIGGMRASA-N. The full InChI is InChI=1S/C13H27N3O/c1-9(2)16(4)12-8-6-5-7-11(12)15-13(17)10(3)14/h9-12H,5-8,14H2,1-4H3,(H,15,17)/t10?,11?,12-/m0/s1.
What are the key properties of 2-amino-N-[(2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]propanamide?
2-amino-N-[(2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]propanamide has a molecular weight of 241.38 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]propanamide is sourced from PubChem (CID 121226200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).