5-amino-N-(3-aminopropyl)hexanamide

C9H21N3O — CID 82851276

IUPAC5-amino-N-(3-aminopropyl)hexanamide
SMILESCC(N)CCCC(=O)NCCCN
InChIInChI=1S/C9H21N3O/c1-8(11)4-2-5-9(13)12-7-3-6-10/h8H,2-7,10-11H2,1H3,(H,12,13)
InChIKeyIXCHFHSOMZHJBA-UHFFFAOYSA-N
MW187.29 g/mol
LogP-0.03
Rot. Bonds7

About 5-amino-N-(3-aminopropyl)hexanamide

5-amino-N-(3-aminopropyl)hexanamide (PubChem CID 82851276) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 5-amino-N-(3-aminopropyl)hexanamide.

Molecular Properties

Compound Name5-amino-N-(3-aminopropyl)hexanamide
PubChem CID82851276
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name5-amino-N-(3-aminopropyl)hexanamide
SMILESCC(N)CCCC(=O)NCCCN
InChIInChI=1S/C9H21N3O/c1-8(11)4-2-5-9(13)12-7-3-6-10/h8H,2-7,10-11H2,1H3,(H,12,13)
InChIKeyIXCHFHSOMZHJBA-UHFFFAOYSA-N
XLogP-0.03
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-N-(3-aminopropyl)hexanamide 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

5-amino-N-(5-hydroxypentyl)hexanamide
CID 107317733
3-(5-aminohexanoylamino)propanoic acid
CID 82851454
5-amino-N-(3-hydroxybutyl)hexanamide
CID 82852052
5-amino-N-but-3-ynylhexanamide
CID 82852148
5-amino-N-(3,3,3-trifluoropropyl)hexanamide
CID 82851486
N-(4-aminobutyl)-4-hydroxypentanamide
CID 79203295
5-amino-N-[3-(cyclopropylmethoxy)propyl]hexanamide
CID 82848964
5-amino-N-(2-cyclopentylethyl)hexanamide
CID 82852565
(4R)-4-amino-N-propylpentanamide
CID 146234117
5-hydroxy-N-[4-(5-hydroxyhexanoylamino)butyl]hexanamide
CID 101050420
N'-(3-aminopropyl)-N-propylbutanediamide
CID 119407981
N-(3-aminopropyl)-3-methylbutanamide
CID 23588483

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-aminopropyl)hexanamide?
The IUPAC name of 5-amino-N-(3-aminopropyl)hexanamide (CID 82851276) is 5-amino-N-(3-aminopropyl)hexanamide.
What is the SMILES notation for 5-amino-N-(3-aminopropyl)hexanamide?
The canonical SMILES for 5-amino-N-(3-aminopropyl)hexanamide is CC(N)CCCC(=O)NCCCN.
What is the InChIKey of 5-amino-N-(3-aminopropyl)hexanamide?
The InChIKey is IXCHFHSOMZHJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-8(11)4-2-5-9(13)12-7-3-6-10/h8H,2-7,10-11H2,1H3,(H,12,13).
What are the key properties of 5-amino-N-(3-aminopropyl)hexanamide?
5-amino-N-(3-aminopropyl)hexanamide has a molecular weight of 187.29 g/mol, XLogP of -0.03, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-aminopropyl)hexanamide is sourced from PubChem (CID 82851276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).