2-amino-N-(2-cyanoethyl)-4-methylpentanamide

C9H17N3O — CID 43364126

IUPAC2-amino-N-(2-cyanoethyl)-4-methylpentanamide
SMILESCC(C)CC(N)C(=O)NCCC#N
InChIInChI=1S/C9H17N3O/c1-7(2)6-8(11)9(13)12-5-3-4-10/h7-8H,3,5-6,11H2,1-2H3,(H,12,13)
InChIKeyRRLWXHKFYDIJDR-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.39
Rot. Bonds5

About 2-amino-N-(2-cyanoethyl)-4-methylpentanamide

2-amino-N-(2-cyanoethyl)-4-methylpentanamide (PubChem CID 43364126) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-amino-N-(2-cyanoethyl)-4-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(2-cyanoethyl)-4-methylpentanamide
PubChem CID43364126
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-amino-N-(2-cyanoethyl)-4-methylpentanamide
SMILESCC(C)CC(N)C(=O)NCCC#N
InChIInChI=1S/C9H17N3O/c1-7(2)6-8(11)9(13)12-5-3-4-10/h7-8H,3,5-6,11H2,1-2H3,(H,12,13)
InChIKeyRRLWXHKFYDIJDR-UHFFFAOYSA-N
XLogP0.39
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-methyl-N-pent-3-ynylpentanamide
CID 116644158
(2S)-2-amino-4-methyl-N-(4-methylpentyl)pentanamide
CID 61158361
2-amino-N-(3-cyanopropyl)butanamide
CID 62666454
(2S)-2-amino-N-[(4-cyanophenyl)methyl]-4-methylpentanamide
CID 61177955
(2S)-N-(2-cyanoethyl)-2-(methylamino)propanamide
CID 94522697
(2R)-2-amino-N-[(2R)-2-hydroxypropyl]-4-methylpentanamide
CID 107220977
1-(2-cyanoethyl)-3-propan-2-ylurea
CID 60971212
(2S)-2-amino-N-[(2R,3S)-3-amino-2-hydroxy-5-methylhexyl]-4-methylpentanamide
CID 88667653
2-amino-N-(5-amino-5-oxopentyl)-4-methylpentanamide
CID 106235612
(2R)-2-amino-4-methyl-N-(3,3,3-trifluoropropyl)pentanamide
CID 104903471
(2R)-2-amino-N,N-bis(2-cyanoethyl)-4-methylpentanamide
CID 93376202
(2R)-2-amino-4-methyl-N-[2-(2-methylpropoxy)ethyl]pentanamide
CID 104904081

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyanoethyl)-4-methylpentanamide?
The IUPAC name of 2-amino-N-(2-cyanoethyl)-4-methylpentanamide (CID 43364126) is 2-amino-N-(2-cyanoethyl)-4-methylpentanamide.
What is the SMILES notation for 2-amino-N-(2-cyanoethyl)-4-methylpentanamide?
The canonical SMILES for 2-amino-N-(2-cyanoethyl)-4-methylpentanamide is CC(C)CC(N)C(=O)NCCC#N.
What is the InChIKey of 2-amino-N-(2-cyanoethyl)-4-methylpentanamide?
The InChIKey is RRLWXHKFYDIJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-7(2)6-8(11)9(13)12-5-3-4-10/h7-8H,3,5-6,11H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-N-(2-cyanoethyl)-4-methylpentanamide?
2-amino-N-(2-cyanoethyl)-4-methylpentanamide has a molecular weight of 183.25 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyanoethyl)-4-methylpentanamide is sourced from PubChem (CID 43364126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).