2-amino-N-(3-cyanopropyl)butanamide

C8H15N3O — CID 62666454

IUPAC2-amino-N-(3-cyanopropyl)butanamide
SMILESCCC(N)C(=O)NCCCC#N
InChIInChI=1S/C8H15N3O/c1-2-7(10)8(12)11-6-4-3-5-9/h7H,2-4,6,10H2,1H3,(H,11,12)
InChIKeyMIYNLEMVPYLLAK-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.14
Rot. Bonds5

About 2-amino-N-(3-cyanopropyl)butanamide

2-amino-N-(3-cyanopropyl)butanamide (PubChem CID 62666454) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-amino-N-(3-cyanopropyl)butanamide.

Molecular Properties

Compound Name2-amino-N-(3-cyanopropyl)butanamide
PubChem CID62666454
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-amino-N-(3-cyanopropyl)butanamide
SMILESCCC(N)C(=O)NCCCC#N
InChIInChI=1S/C8H15N3O/c1-2-7(10)8(12)11-6-4-3-5-9/h7H,2-4,6,10H2,1H3,(H,11,12)
InChIKeyMIYNLEMVPYLLAK-UHFFFAOYSA-N
XLogP0.14
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-N-(3-cyanopropyl)butanamide 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-(3-cyanopropyl)propanamide
CID 62666254
2-amino-N-hex-5-ynylbutanamide
CID 103950447
(2R)-2-amino-N-tetradecylbutanamide
CID 158842614
(2R)-2-amino-N-pent-3-ynylbutanamide
CID 104891645
3-cyanopropylurea
CID 62667023
(2S)-2-amino-N-(2-cyanopropyl)butanamide
CID 79023306
(2S)-2-amino-N-[3-(diethylamino)propyl]butanamide
CID 79025244
2-amino-N-(2-cyanoethyl)-4-methylpentanamide
CID 43364126
2-amino-N-(3-cyanopropyl)acetamide
CID 62666255
2-amino-N-(3-amino-3-oxopropyl)butanamide
CID 43649631
2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide
CID 106047623
(2S)-2-amino-N-[3-(2-methoxyethoxy)propyl]butanamide
CID 79023229

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-cyanopropyl)butanamide?
The IUPAC name of 2-amino-N-(3-cyanopropyl)butanamide (CID 62666454) is 2-amino-N-(3-cyanopropyl)butanamide.
What is the SMILES notation for 2-amino-N-(3-cyanopropyl)butanamide?
The canonical SMILES for 2-amino-N-(3-cyanopropyl)butanamide is CCC(N)C(=O)NCCCC#N.
What is the InChIKey of 2-amino-N-(3-cyanopropyl)butanamide?
The InChIKey is MIYNLEMVPYLLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-2-7(10)8(12)11-6-4-3-5-9/h7H,2-4,6,10H2,1H3,(H,11,12).
What are the key properties of 2-amino-N-(3-cyanopropyl)butanamide?
2-amino-N-(3-cyanopropyl)butanamide has a molecular weight of 169.23 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-cyanopropyl)butanamide is sourced from PubChem (CID 62666454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).