(2R)-2-amino-N,N-bis(2-cyanoethyl)-4-methylpentanamide

C12H20N4O — CID 93376202

IUPAC(2R)-2-amino-N,N-bis(2-cyanoethyl)-4-methylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)N(CCC#N)CCC#N
InChIInChI=1S/C12H20N4O/c1-10(2)9-11(15)12(17)16(7-3-5-13)8-4-6-14/h10-11H,3-4,7-9,15H2,1-2H3/t11-/m1/s1
InChIKeyHZUMRAZMATVMLB-LLVKDONJSA-N
MW236.32 g/mol
LogP1.02
Rot. Bonds7

About (2R)-2-amino-N,N-bis(2-cyanoethyl)-4-methylpentanamide

(2R)-2-amino-N,N-bis(2-cyanoethyl)-4-methylpentanamide (PubChem CID 93376202) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is (2R)-2-amino-N,N-bis(2-cyanoethyl)-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N,N-bis(2-cyanoethyl)-4-methylpentanamide
PubChem CID93376202
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name(2R)-2-amino-N,N-bis(2-cyanoethyl)-4-methylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)N(CCC#N)CCC#N
InChIInChI=1S/C12H20N4O/c1-10(2)9-11(15)12(17)16(7-3-5-13)8-4-6-14/h10-11H,3-4,7-9,15H2,1-2H3/t11-/m1/s1
InChIKeyHZUMRAZMATVMLB-LLVKDONJSA-N
XLogP1.02
TPSA93.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-amino-N,N-bis(2-cyanoethyl)-4-methylpentanamide 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

2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)butanediamide
CID 54873716
2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)propanamide
CID 60963440
(2R)-2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)propanamide
CID 78973558
2-amino-N-(2-cyanoethyl)-3-methoxy-N-(2-methoxyethyl)propanamide
CID 81088238
2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-4-methylsulfonylbutanamide
CID 54873679
(2S)-2-amino-4-methyl-N,N-dipentylpentanamide
CID 61164908
(2S)-2-amino-N-(2-cyanoethyl)-N-ethylpropanamide
CID 61148414
2-amino-N,N-diethyl-4-methylpentanamide
CID 24697294
(2S)-2-amino-N-(2-cyanoethyl)-3-methyl-N-(2-methylpropyl)butanamide
CID 61162671
N,N-bis(2-cyanoethyl)-2-methylbutanamide
CID 4627836
(2R)-2-amino-N,N-dihexyl-4-methylpentanamide
CID 104903090
(2R)-2-amino-N-(2-cyanoethyl)-N-ethyl-3-methylbutanamide
CID 79012369

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N,N-bis(2-cyanoethyl)-4-methylpentanamide?
The IUPAC name of (2R)-2-amino-N,N-bis(2-cyanoethyl)-4-methylpentanamide (CID 93376202) is (2R)-2-amino-N,N-bis(2-cyanoethyl)-4-methylpentanamide.
What is the SMILES notation for (2R)-2-amino-N,N-bis(2-cyanoethyl)-4-methylpentanamide?
The canonical SMILES for (2R)-2-amino-N,N-bis(2-cyanoethyl)-4-methylpentanamide is CC(C)C[C@@H](N)C(=O)N(CCC#N)CCC#N.
What is the InChIKey of (2R)-2-amino-N,N-bis(2-cyanoethyl)-4-methylpentanamide?
The InChIKey is HZUMRAZMATVMLB-LLVKDONJSA-N. The full InChI is InChI=1S/C12H20N4O/c1-10(2)9-11(15)12(17)16(7-3-5-13)8-4-6-14/h10-11H,3-4,7-9,15H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-2-amino-N,N-bis(2-cyanoethyl)-4-methylpentanamide?
(2R)-2-amino-N,N-bis(2-cyanoethyl)-4-methylpentanamide has a molecular weight of 236.32 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N,N-bis(2-cyanoethyl)-4-methylpentanamide is sourced from PubChem (CID 93376202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).