2-(but-2-ynylamino)-N-cyclopropylpropanamide

C10H16N2O — CID 115865749

IUPAC2-(but-2-ynylamino)-N-cyclopropylpropanamide
SMILESCC#CCNC(C)C(=O)NC1CC1
InChIInChI=1S/C10H16N2O/c1-3-4-7-11-8(2)10(13)12-9-5-6-9/h8-9,11H,5-7H2,1-2H3,(H,12,13)
InChIKeyJWELWZSVNSIDBI-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.27
Rot. Bonds4

About 2-(but-2-ynylamino)-N-cyclopropylpropanamide

2-(but-2-ynylamino)-N-cyclopropylpropanamide (PubChem CID 115865749) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(but-2-ynylamino)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-(but-2-ynylamino)-N-cyclopropylpropanamide
PubChem CID115865749
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-(but-2-ynylamino)-N-cyclopropylpropanamide
SMILESCC#CCNC(C)C(=O)NC1CC1
InChIInChI=1S/C10H16N2O/c1-3-4-7-11-8(2)10(13)12-9-5-6-9/h8-9,11H,5-7H2,1-2H3,(H,12,13)
InChIKeyJWELWZSVNSIDBI-UHFFFAOYSA-N
XLogP0.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.27
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

N-cyclopropyl-2-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394773
N-cyclopropyl-2-[(3-ethyl-2-hydroxypentyl)amino]propanamide
CID 114168417
N-cyclopropyl-2-(3-fluoropropylamino)propanamide
CID 115731798
2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-cyclopropylpropanamide
CID 113248238
N-cyclopropyl-2-[(1-methylcyclopropyl)methylamino]propanamide
CID 103724718
N-cyclopropyl-2-(6-hydroxyhexylamino)propanamide
CID 107703590
N-cyclopropyl-2-[(4-hydroxycyclohexyl)methylamino]propanamide
CID 114147898
3-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]-2-hydroxypropanamide
CID 106174838
2-(but-2-ynylamino)propanamide
CID 62311148
N-cyclopropyl-2-(propan-2-ylamino)propanamide
CID 43085808
N-cyclopropyl-2-[(2-methyl-2-methylsulfanylpropyl)amino]propanamide
CID 115672953
N-cyclopentyl-2-(cyclopropylmethylamino)propanamide
CID 43116561

Frequently Asked Questions

What is the IUPAC name of 2-(but-2-ynylamino)-N-cyclopropylpropanamide?
The IUPAC name of 2-(but-2-ynylamino)-N-cyclopropylpropanamide (CID 115865749) is 2-(but-2-ynylamino)-N-cyclopropylpropanamide.
What is the SMILES notation for 2-(but-2-ynylamino)-N-cyclopropylpropanamide?
The canonical SMILES for 2-(but-2-ynylamino)-N-cyclopropylpropanamide is CC#CCNC(C)C(=O)NC1CC1.
What is the InChIKey of 2-(but-2-ynylamino)-N-cyclopropylpropanamide?
The InChIKey is JWELWZSVNSIDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-4-7-11-8(2)10(13)12-9-5-6-9/h8-9,11H,5-7H2,1-2H3,(H,12,13).
What are the key properties of 2-(but-2-ynylamino)-N-cyclopropylpropanamide?
2-(but-2-ynylamino)-N-cyclopropylpropanamide has a molecular weight of 180.25 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(but-2-ynylamino)-N-cyclopropylpropanamide is sourced from PubChem (CID 115865749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).