3-amino-N-hex-5-ynylpentanamide

C11H20N2O — CID 106213039

IUPAC3-amino-N-hex-5-ynylpentanamide
SMILESC#CCCCCNC(=O)CC(N)CC
InChIInChI=1S/C11H20N2O/c1-3-5-6-7-8-13-11(14)9-10(12)4-2/h1,10H,4-9,12H2,2H3,(H,13,14)
InChIKeyNBTTYFRIYRSWOM-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.03
Rot. Bonds7

About 3-amino-N-hex-5-ynylpentanamide

3-amino-N-hex-5-ynylpentanamide (PubChem CID 106213039) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-amino-N-hex-5-ynylpentanamide.

Molecular Properties

Compound Name3-amino-N-hex-5-ynylpentanamide
PubChem CID106213039
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-amino-N-hex-5-ynylpentanamide
SMILESC#CCCCCNC(=O)CC(N)CC
InChIInChI=1S/C11H20N2O/c1-3-5-6-7-8-13-11(14)9-10(12)4-2/h1,10H,4-9,12H2,2H3,(H,13,14)
InChIKeyNBTTYFRIYRSWOM-UHFFFAOYSA-N
XLogP1.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-amino-N-hex-5-ynylpentanamide 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-hex-5-ynylbutanamide
CID 103950447
(2R)-2-amino-N-hex-5-ynyl-3,3-dimethylbutanamide
CID 106213078
(2R)-2-amino-N-hex-5-ynylpentanamide
CID 106213082
N-hex-5-ynyl-2-(propan-2-ylamino)acetamide
CID 106213054
3-(4-aminophenyl)-N-hex-5-ynylbutanamide
CID 106213111
N-hex-5-ynyl-3,3-dimethylbutanamide
CID 103758094
N-hex-5-ynyl-2-methylsulfonylacetamide
CID 103758108
2-bromo-N-hex-5-ynylpropanamide
CID 106211130
2-cyano-N-hex-5-ynylacetamide
CID 104920077
N-hex-5-ynyl-3-methylsulfanylpropanamide
CID 103757804
methyl N-hex-5-ynylcarbamate
CID 103758218
1-hex-5-ynyl-3-methylurea
CID 103757181

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-hex-5-ynylpentanamide?
The IUPAC name of 3-amino-N-hex-5-ynylpentanamide (CID 106213039) is 3-amino-N-hex-5-ynylpentanamide.
What is the SMILES notation for 3-amino-N-hex-5-ynylpentanamide?
The canonical SMILES for 3-amino-N-hex-5-ynylpentanamide is C#CCCCCNC(=O)CC(N)CC.
What is the InChIKey of 3-amino-N-hex-5-ynylpentanamide?
The InChIKey is NBTTYFRIYRSWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-5-6-7-8-13-11(14)9-10(12)4-2/h1,10H,4-9,12H2,2H3,(H,13,14).
What are the key properties of 3-amino-N-hex-5-ynylpentanamide?
3-amino-N-hex-5-ynylpentanamide has a molecular weight of 196.29 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-hex-5-ynylpentanamide is sourced from PubChem (CID 106213039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).