(2S)-2-amino-N-(2-cyanoethyl)-N-propan-2-ylhexanamide

C12H23N3O — CID 107143877

IUPAC(2S)-2-amino-N-(2-cyanoethyl)-N-propan-2-ylhexanamide
SMILESCCCC[C@H](N)C(=O)N(CCC#N)C(C)C
InChIInChI=1S/C12H23N3O/c1-4-5-7-11(14)12(16)15(10(2)3)9-6-8-13/h10-11H,4-7,9,14H2,1-3H3/t11-/m0/s1
InChIKeyXWJSOBZXPKXSMZ-NSHDSACASA-N
MW225.34 g/mol
LogP1.65
Rot. Bonds7

About (2S)-2-amino-N-(2-cyanoethyl)-N-propan-2-ylhexanamide

(2S)-2-amino-N-(2-cyanoethyl)-N-propan-2-ylhexanamide (PubChem CID 107143877) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-cyanoethyl)-N-propan-2-ylhexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-cyanoethyl)-N-propan-2-ylhexanamide
PubChem CID107143877
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name(2S)-2-amino-N-(2-cyanoethyl)-N-propan-2-ylhexanamide
SMILESCCCC[C@H](N)C(=O)N(CCC#N)C(C)C
InChIInChI=1S/C12H23N3O/c1-4-5-7-11(14)12(16)15(10(2)3)9-6-8-13/h10-11H,4-7,9,14H2,1-3H3/t11-/m0/s1
InChIKeyXWJSOBZXPKXSMZ-NSHDSACASA-N
XLogP1.65
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-(2-cyanoethyl)-N-propan-2-ylhexanamide 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)-2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)hexanamide
CID 107144500
2-amino-N-(1-cyanopropan-2-yl)-N-methylhexanamide
CID 63225035
N-(2-cyanoethyl)-N-propan-2-yl-2-sulfanylpropanamide
CID 107026385
2-amino-5-methoxy-N-propan-2-yl-N-propylpentanamide
CID 81081647
methyl 2-[[(2S)-2-aminohexanoyl]-propan-2-ylamino]acetate
CID 93371915
(2R)-2-amino-N-(2-cyanoethyl)-3-(4-hydroxyphenyl)-N-propan-2-ylpropanamide
CID 104904779
N-(2-cyanoethyl)-3-(ethylamino)-2-methyl-N-propan-2-ylpropanamide
CID 62851812
4-amino-5-oxo-5-[propan-2-yl(propyl)amino]pentanoic acid
CID 64896188
(2R)-2-amino-N,N-dimethylhexanamide
CID 87696829
(2R)-2-amino-4-methylsulfanyl-N-propan-2-yl-N-propylbutanamide
CID 104906933
(2S)-2-amino-N-(2-cyanopropyl)-N-ethylhexanamide
CID 107144573
(2S)-2-amino-N-butyl-N-methylhexanamide
CID 103830866

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-cyanoethyl)-N-propan-2-ylhexanamide?
The IUPAC name of (2S)-2-amino-N-(2-cyanoethyl)-N-propan-2-ylhexanamide (CID 107143877) is (2S)-2-amino-N-(2-cyanoethyl)-N-propan-2-ylhexanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-cyanoethyl)-N-propan-2-ylhexanamide?
The canonical SMILES for (2S)-2-amino-N-(2-cyanoethyl)-N-propan-2-ylhexanamide is CCCC[C@H](N)C(=O)N(CCC#N)C(C)C.
What is the InChIKey of (2S)-2-amino-N-(2-cyanoethyl)-N-propan-2-ylhexanamide?
The InChIKey is XWJSOBZXPKXSMZ-NSHDSACASA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-5-7-11(14)12(16)15(10(2)3)9-6-8-13/h10-11H,4-7,9,14H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-cyanoethyl)-N-propan-2-ylhexanamide?
(2S)-2-amino-N-(2-cyanoethyl)-N-propan-2-ylhexanamide has a molecular weight of 225.34 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-cyanoethyl)-N-propan-2-ylhexanamide is sourced from PubChem (CID 107143877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).