3-amino-N-pent-1-yn-3-ylbutanamide

C9H16N2O — CID 106230437

IUPAC3-amino-N-pent-1-yn-3-ylbutanamide
SMILESC#CC(CC)NC(=O)CC(C)N
InChIInChI=1S/C9H16N2O/c1-4-8(5-2)11-9(12)6-7(3)10/h1,7-8H,5-6,10H2,2-3H3,(H,11,12)
InChIKeyCUDMVGZAFXKNDO-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.25
Rot. Bonds4

About 3-amino-N-pent-1-yn-3-ylbutanamide

3-amino-N-pent-1-yn-3-ylbutanamide (PubChem CID 106230437) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-amino-N-pent-1-yn-3-ylbutanamide.

Molecular Properties

Compound Name3-amino-N-pent-1-yn-3-ylbutanamide
PubChem CID106230437
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name3-amino-N-pent-1-yn-3-ylbutanamide
SMILESC#CC(CC)NC(=O)CC(C)N
InChIInChI=1S/C9H16N2O/c1-4-8(5-2)11-9(12)6-7(3)10/h1,7-8H,5-6,10H2,2-3H3,(H,11,12)
InChIKeyCUDMVGZAFXKNDO-UHFFFAOYSA-N
XLogP0.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-3-methyl-N-pent-1-yn-3-ylbutanamide
CID 103578918
3-amino-N-[(2S)-butan-2-yl]butanamide
CID 142118681
3-(4-aminophenyl)-N-pent-1-yn-3-ylbutanamide
CID 114161325
2-(methylamino)-N-pent-1-yn-3-ylacetamide
CID 106230235
6-amino-4-methyl-N-pent-1-yn-3-ylhexanamide
CID 106230416
3,3-dimethyl-N-pent-1-yn-3-ylbutanamide
CID 103578952
2-amino-N-[2-oxo-2-(pent-1-yn-3-ylamino)ethyl]acetamide
CID 106230441
3-ethoxy-N-pent-1-yn-3-ylpropanamide
CID 103579230
3,3-dimethyl-5-oxo-5-(pent-1-yn-3-ylamino)pentanoic acid
CID 106223896
(2R)-2-(pent-1-yn-3-ylcarbamoylamino)propanoic acid
CID 106232347
3-(3-aminobutanoylamino)butanoic acid
CID 61160048
2-(4-hydroxyphenyl)-N-pent-1-yn-3-ylacetamide
CID 103579156

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-pent-1-yn-3-ylbutanamide?
The IUPAC name of 3-amino-N-pent-1-yn-3-ylbutanamide (CID 106230437) is 3-amino-N-pent-1-yn-3-ylbutanamide.
What is the SMILES notation for 3-amino-N-pent-1-yn-3-ylbutanamide?
The canonical SMILES for 3-amino-N-pent-1-yn-3-ylbutanamide is C#CC(CC)NC(=O)CC(C)N.
What is the InChIKey of 3-amino-N-pent-1-yn-3-ylbutanamide?
The InChIKey is CUDMVGZAFXKNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-8(5-2)11-9(12)6-7(3)10/h1,7-8H,5-6,10H2,2-3H3,(H,11,12).
What are the key properties of 3-amino-N-pent-1-yn-3-ylbutanamide?
3-amino-N-pent-1-yn-3-ylbutanamide has a molecular weight of 168.24 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-pent-1-yn-3-ylbutanamide is sourced from PubChem (CID 106230437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).