4-amino-N-prop-2-ynylbutanamide

C7H12N2O — CID 24695167

IUPAC4-amino-N-prop-2-ynylbutanamide
SMILESC#CCNC(=O)CCCN
InChIInChI=1S/C7H12N2O/c1-2-6-9-7(10)4-3-5-8/h1H,3-6,8H2,(H,9,10)
InChIKeyNBIXCRNKJCMCQX-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.53
Rot. Bonds4

About 4-amino-N-prop-2-ynylbutanamide

4-amino-N-prop-2-ynylbutanamide (PubChem CID 24695167) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 4-amino-N-prop-2-ynylbutanamide.

Molecular Properties

Compound Name4-amino-N-prop-2-ynylbutanamide
PubChem CID24695167
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name4-amino-N-prop-2-ynylbutanamide
SMILESC#CCNC(=O)CCCN
InChIInChI=1S/C7H12N2O/c1-2-6-9-7(10)4-3-5-8/h1H,3-6,8H2,(H,9,10)
InChIKeyNBIXCRNKJCMCQX-UHFFFAOYSA-N
XLogP-0.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.53
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

6-oxo-6-(prop-2-ynylamino)hexanoic acid
CID 43529221
N-prop-2-ynyl-11-sulfanylundecanamide
CID 102527200
N,N'-bis(prop-2-ynyl)octadec-9-enediamide
CID 90949780
2-amino-N-prop-2-ynylacetamide;hydrochloride
CID 47002635
N,N'-bis(prop-2-ynyl)icos-10-enediamide;ethane
CID 143956023
4-oxo-N-prop-2-ynylpentanamide
CID 60646238
7-amino-N-(cyanomethyl)heptanamide
CID 61254077
N-propyl-N'-prop-2-ynylbutanediamide
CID 163636488
N'-[2-[2-[2-[[4-[2-[2-[2-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethyl]-N-[3-oxo-3-(prop-2-ynylamino)propyl]butanediamide
CID 168787195
4-phenyl-N-prop-2-ynylbutanamide
CID 60769101
methane;N-prop-2-ynylbutanamide;N-prop-2-ynylpropanamide
CID 158389434
2,6-diamino-N-prop-2-ynylhexanamide
CID 118953139

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-prop-2-ynylbutanamide?
The IUPAC name of 4-amino-N-prop-2-ynylbutanamide (CID 24695167) is 4-amino-N-prop-2-ynylbutanamide.
What is the SMILES notation for 4-amino-N-prop-2-ynylbutanamide?
The canonical SMILES for 4-amino-N-prop-2-ynylbutanamide is C#CCNC(=O)CCCN.
What is the InChIKey of 4-amino-N-prop-2-ynylbutanamide?
The InChIKey is NBIXCRNKJCMCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-2-6-9-7(10)4-3-5-8/h1H,3-6,8H2,(H,9,10).
What are the key properties of 4-amino-N-prop-2-ynylbutanamide?
4-amino-N-prop-2-ynylbutanamide has a molecular weight of 140.19 g/mol, XLogP of -0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-prop-2-ynylbutanamide is sourced from PubChem (CID 24695167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).