5-amino-N-(3-cyanopropyl)-4-methylpentanamide

C10H19N3O — CID 82010988

IUPAC5-amino-N-(3-cyanopropyl)-4-methylpentanamide
SMILESCC(CN)CCC(=O)NCCCC#N
InChIInChI=1S/C10H19N3O/c1-9(8-12)4-5-10(14)13-7-3-2-6-11/h9H,2-5,7-8,12H2,1H3,(H,13,14)
InChIKeyDQILATUKOGLBPJ-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.78
Rot. Bonds7

About 5-amino-N-(3-cyanopropyl)-4-methylpentanamide

5-amino-N-(3-cyanopropyl)-4-methylpentanamide (PubChem CID 82010988) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 5-amino-N-(3-cyanopropyl)-4-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-(3-cyanopropyl)-4-methylpentanamide
PubChem CID82010988
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name5-amino-N-(3-cyanopropyl)-4-methylpentanamide
SMILESCC(CN)CCC(=O)NCCCC#N
InChIInChI=1S/C10H19N3O/c1-9(8-12)4-5-10(14)13-7-3-2-6-11/h9H,2-5,7-8,12H2,1H3,(H,13,14)
InChIKeyDQILATUKOGLBPJ-UHFFFAOYSA-N
XLogP0.78
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.78
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

4-amino-N-(3-cyanopropyl)-3-methylbutanamide
CID 81080393
5-amino-N-(4-hydroxybutyl)-4-methylpentanamide
CID 106842029
5-[(5-amino-4-methylpentanoyl)amino]pentanoic acid
CID 82689538
2-amino-N-(3-cyanopropyl)acetamide
CID 62666255
5-amino-4-methyl-N-[2-(2-methylpropanoylamino)ethyl]pentanamide
CID 82012399
N-(5-amino-4-methylpentyl)hexanamide
CID 57163193
5-amino-N-[3-(2-hydroxyethoxy)propyl]-4-methylpentanamide
CID 106310722
5-amino-4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]pentanamide
CID 82011389
(E)-N,N'-bis(5-amino-4-methylpentyl)-9-cyanododec-5-enediamide
CID 22949703
2-[(5-amino-4-methylpentanoyl)amino]ethyl carbamate
CID 83210908
5-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylpentanamide
CID 82683387
2-amino-N-(3-cyanopropyl)propanamide
CID 62666254

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-cyanopropyl)-4-methylpentanamide?
The IUPAC name of 5-amino-N-(3-cyanopropyl)-4-methylpentanamide (CID 82010988) is 5-amino-N-(3-cyanopropyl)-4-methylpentanamide.
What is the SMILES notation for 5-amino-N-(3-cyanopropyl)-4-methylpentanamide?
The canonical SMILES for 5-amino-N-(3-cyanopropyl)-4-methylpentanamide is CC(CN)CCC(=O)NCCCC#N.
What is the InChIKey of 5-amino-N-(3-cyanopropyl)-4-methylpentanamide?
The InChIKey is DQILATUKOGLBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-9(8-12)4-5-10(14)13-7-3-2-6-11/h9H,2-5,7-8,12H2,1H3,(H,13,14).
What are the key properties of 5-amino-N-(3-cyanopropyl)-4-methylpentanamide?
5-amino-N-(3-cyanopropyl)-4-methylpentanamide has a molecular weight of 197.28 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-cyanopropyl)-4-methylpentanamide is sourced from PubChem (CID 82010988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).