5-amino-N-(2-cyanoethyl)-N,4-dimethylpentanamide

C10H19N3O — CID 82017217

IUPAC5-amino-N-(2-cyanoethyl)-N,4-dimethylpentanamide
SMILESCC(CN)CCC(=O)N(C)CCC#N
InChIInChI=1S/C10H19N3O/c1-9(8-12)4-5-10(14)13(2)7-3-6-11/h9H,3-5,7-8,12H2,1-2H3
InChIKeyNGCBDLFXWSJRFS-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.73
Rot. Bonds6

About 5-amino-N-(2-cyanoethyl)-N,4-dimethylpentanamide

5-amino-N-(2-cyanoethyl)-N,4-dimethylpentanamide (PubChem CID 82017217) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 5-amino-N-(2-cyanoethyl)-N,4-dimethylpentanamide.

Molecular Properties

Compound Name5-amino-N-(2-cyanoethyl)-N,4-dimethylpentanamide
PubChem CID82017217
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name5-amino-N-(2-cyanoethyl)-N,4-dimethylpentanamide
SMILESCC(CN)CCC(=O)N(C)CCC#N
InChIInChI=1S/C10H19N3O/c1-9(8-12)4-5-10(14)13(2)7-3-6-11/h9H,3-5,7-8,12H2,1-2H3
InChIKeyNGCBDLFXWSJRFS-UHFFFAOYSA-N
XLogP0.73
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N,N-bis(2-cyanoethyl)-3-methylbutanamide
CID 81087572
5-amino-N-(5-hydroxypentyl)-N,4-dimethylpentanamide
CID 107199347
5-amino-N,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 82012105
N-(2-cyanoethyl)-N-methyl-3-[methyl(2-methylpropyl)amino]propanamide
CID 43289053
N-(2-cyanoethyl)-2-hydroxy-N-methylacetamide
CID 43289856
4-amino-N-(2-cyanoethyl)-3-methyl-N-propan-2-ylbutanamide
CID 81071767
3-(aminomethyl)-N-(2-cyanoethyl)-N-methylpentanamide
CID 81071138
N-(2-cyanoethyl)-3-(3-hydroxybutan-2-ylsulfanyl)-N-methylpropanamide
CID 107770644
N-(2-cyanoethyl)-N-methyl-4-(propan-2-ylamino)butanamide
CID 60850594
N-(2-cyanoethyl)-3-[2-(dimethylamino)ethyl-methylamino]-N-methylpropanamide
CID 55228110
N-(2-cyanoethyl)-3-methoxy-N-methylpropanamide
CID 43289311
N-(2-cyanoethyl)-N-methylpropanamide
CID 21036687

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-cyanoethyl)-N,4-dimethylpentanamide?
The IUPAC name of 5-amino-N-(2-cyanoethyl)-N,4-dimethylpentanamide (CID 82017217) is 5-amino-N-(2-cyanoethyl)-N,4-dimethylpentanamide.
What is the SMILES notation for 5-amino-N-(2-cyanoethyl)-N,4-dimethylpentanamide?
The canonical SMILES for 5-amino-N-(2-cyanoethyl)-N,4-dimethylpentanamide is CC(CN)CCC(=O)N(C)CCC#N.
What is the InChIKey of 5-amino-N-(2-cyanoethyl)-N,4-dimethylpentanamide?
The InChIKey is NGCBDLFXWSJRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-9(8-12)4-5-10(14)13(2)7-3-6-11/h9H,3-5,7-8,12H2,1-2H3.
What are the key properties of 5-amino-N-(2-cyanoethyl)-N,4-dimethylpentanamide?
5-amino-N-(2-cyanoethyl)-N,4-dimethylpentanamide has a molecular weight of 197.28 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-cyanoethyl)-N,4-dimethylpentanamide is sourced from PubChem (CID 82017217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).