2-amino-N-(1-cyanopropan-2-yl)-2-methylpentanamide

C10H19N3O — CID 62093373

IUPAC2-amino-N-(1-cyanopropan-2-yl)-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NC(C)CC#N
InChIInChI=1S/C10H19N3O/c1-4-6-10(3,12)9(14)13-8(2)5-7-11/h8H,4-6,12H2,1-3H3,(H,13,14)
InChIKeyBRAVOCOXTZPMFY-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.92
Rot. Bonds5

About 2-amino-N-(1-cyanopropan-2-yl)-2-methylpentanamide

2-amino-N-(1-cyanopropan-2-yl)-2-methylpentanamide (PubChem CID 62093373) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-amino-N-(1-cyanopropan-2-yl)-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(1-cyanopropan-2-yl)-2-methylpentanamide
PubChem CID62093373
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-amino-N-(1-cyanopropan-2-yl)-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NC(C)CC#N
InChIInChI=1S/C10H19N3O/c1-4-6-10(3,12)9(14)13-8(2)5-7-11/h8H,4-6,12H2,1-3H3,(H,13,14)
InChIKeyBRAVOCOXTZPMFY-UHFFFAOYSA-N
XLogP0.92
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(5,5-dimethylhexan-2-yl)-2-methylpentanamide
CID 119796586
2-amino-2-methyl-N-(6-methylheptan-2-yl)pentanamide;hydrochloride
CID 119673366
2-[(2-amino-2-methylpentanoyl)amino]propanoic acid
CID 61157718
2-(aminomethyl)-N-(1-cyanopropan-2-yl)-2-ethylbutanamide
CID 115432472
2-amino-N-(1-cyanopropan-2-yl)-2-phenylpropanamide
CID 62489019
2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-methylpentanamide
CID 106345053
methyl 2-[(2-amino-2-methylpentanoyl)amino]-3-methylpentanoate
CID 54928348
2-amino-N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpentanamide
CID 54928444
2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-2-methylpentanamide
CID 63008242
2-amino-N-(1-methoxy-3-methylbutan-2-yl)-2-methylpentanamide
CID 65049075
N-[(2R)-1-cyanopropan-2-yl]acetamide
CID 55299754
2-[(2-amino-2-methylpentanoyl)amino]-3-hydroxypropanoic acid
CID 61157022

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-cyanopropan-2-yl)-2-methylpentanamide?
The IUPAC name of 2-amino-N-(1-cyanopropan-2-yl)-2-methylpentanamide (CID 62093373) is 2-amino-N-(1-cyanopropan-2-yl)-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-(1-cyanopropan-2-yl)-2-methylpentanamide?
The canonical SMILES for 2-amino-N-(1-cyanopropan-2-yl)-2-methylpentanamide is CCCC(C)(N)C(=O)NC(C)CC#N.
What is the InChIKey of 2-amino-N-(1-cyanopropan-2-yl)-2-methylpentanamide?
The InChIKey is BRAVOCOXTZPMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-4-6-10(3,12)9(14)13-8(2)5-7-11/h8H,4-6,12H2,1-3H3,(H,13,14).
What are the key properties of 2-amino-N-(1-cyanopropan-2-yl)-2-methylpentanamide?
2-amino-N-(1-cyanopropan-2-yl)-2-methylpentanamide has a molecular weight of 197.28 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-cyanopropan-2-yl)-2-methylpentanamide is sourced from PubChem (CID 62093373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).