2-amino-N-(2-cyanopropyl)-N-methylpentanamide

C10H19N3O — CID 60963784

IUPAC2-amino-N-(2-cyanopropyl)-N-methylpentanamide
SMILESCCCC(N)C(=O)N(C)CC(C)C#N
InChIInChI=1S/C10H19N3O/c1-4-5-9(12)10(14)13(3)7-8(2)6-11/h8-9H,4-5,7,12H2,1-3H3
InChIKeyAOLWFTWBGKHBSW-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.73
Rot. Bonds5

About 2-amino-N-(2-cyanopropyl)-N-methylpentanamide

2-amino-N-(2-cyanopropyl)-N-methylpentanamide (PubChem CID 60963784) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-amino-N-(2-cyanopropyl)-N-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(2-cyanopropyl)-N-methylpentanamide
PubChem CID60963784
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-amino-N-(2-cyanopropyl)-N-methylpentanamide
SMILESCCCC(N)C(=O)N(C)CC(C)C#N
InChIInChI=1S/C10H19N3O/c1-4-5-9(12)10(14)13(3)7-8(2)6-11/h8-9H,4-5,7,12H2,1-3H3
InChIKeyAOLWFTWBGKHBSW-UHFFFAOYSA-N
XLogP0.73
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

2-amino-N-methyl-N-(3-methylbutyl)pentanamide
CID 60963800
(2R)-2-amino-N-ethyl-N-methylpentanamide
CID 93255557
(2S)-2-amino-N-(2-cyanopropyl)-N-ethylhexanamide
CID 107144573
1-(2-cyanopropyl)-1,3,3-trimethylurea
CID 78969861
ethyl 2-[2-cyanopropyl(methyl)carbamoyl]-3,3-dimethylbutanoate
CID 116537915
N-(2-cyanopropyl)-N,3-dimethyl-2-sulfanylbutanamide
CID 107026270
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpentanamide
CID 107568202
(2R)-2-amino-N-hydroxy-N-methylpentanamide
CID 131057070
2-amino-N-methyl-N-(2-methylbutyl)hexanamide
CID 60854026
(2R)-2-amino-N-methyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 107568767
(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-methylpentanamide
CID 107569740
N-(2-cyanopropyl)-N-methylheptanamide
CID 115593392

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyanopropyl)-N-methylpentanamide?
The IUPAC name of 2-amino-N-(2-cyanopropyl)-N-methylpentanamide (CID 60963784) is 2-amino-N-(2-cyanopropyl)-N-methylpentanamide.
What is the SMILES notation for 2-amino-N-(2-cyanopropyl)-N-methylpentanamide?
The canonical SMILES for 2-amino-N-(2-cyanopropyl)-N-methylpentanamide is CCCC(N)C(=O)N(C)CC(C)C#N.
What is the InChIKey of 2-amino-N-(2-cyanopropyl)-N-methylpentanamide?
The InChIKey is AOLWFTWBGKHBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-4-5-9(12)10(14)13(3)7-8(2)6-11/h8-9H,4-5,7,12H2,1-3H3.
What are the key properties of 2-amino-N-(2-cyanopropyl)-N-methylpentanamide?
2-amino-N-(2-cyanopropyl)-N-methylpentanamide has a molecular weight of 197.28 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyanopropyl)-N-methylpentanamide is sourced from PubChem (CID 60963784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).