2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N-prop-2-ynylpropanamide

C13H25N3O — CID 54958686

IUPAC2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)NC(CN(C)C)C(C)C
InChIInChI=1S/C13H25N3O/c1-7-8-14-13(17)11(4)15-12(10(2)3)9-16(5)6/h1,10-12,15H,8-9H2,2-6H3,(H,14,17)
InChIKeyCMCJIZBLKOARJH-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.30
Rot. Bonds7

About 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N-prop-2-ynylpropanamide

2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N-prop-2-ynylpropanamide (PubChem CID 54958686) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N-prop-2-ynylpropanamide
PubChem CID54958686
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)NC(CN(C)C)C(C)C
InChIInChI=1S/C13H25N3O/c1-7-8-14-13(17)11(4)15-12(10(2)3)9-16(5)6/h1,10-12,15H,8-9H2,2-6H3,(H,14,17)
InChIKeyCMCJIZBLKOARJH-UHFFFAOYSA-N
XLogP0.30
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-hydroxy-3-methylbutan-2-yl)amino]-N-prop-2-ynylpropanamide
CID 79249900
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 54959087
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-prop-2-ynylpropanamide
CID 43113233
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-methoxypropanoic acid
CID 103245081
2-(methoxyamino)-N-prop-2-ynylpropanamide
CID 60721257
2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-prop-2-ynylpropanamide
CID 114150009
2-[[(1S)-1-cyclopentylethyl]amino]-N-prop-2-ynylpropanamide
CID 81395795
2-[[(1R)-1-cyclopentylethyl]amino]-N-prop-2-ynylpropanamide
CID 81388842
N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(methylamino)propanamide
CID 62639532
2-iodo-N-prop-2-ynylpropanamide
CID 64789120
2-[[(1S)-1-(4-methylphenyl)ethyl]amino]-N-prop-2-ynylpropanamide
CID 81356785
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-oxoacetic acid
CID 61479125

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N-prop-2-ynylpropanamide?
The IUPAC name of 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N-prop-2-ynylpropanamide (CID 54958686) is 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)NC(CN(C)C)C(C)C.
What is the InChIKey of 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N-prop-2-ynylpropanamide?
The InChIKey is CMCJIZBLKOARJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-7-8-14-13(17)11(4)15-12(10(2)3)9-16(5)6/h1,10-12,15H,8-9H2,2-6H3,(H,14,17).
What are the key properties of 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N-prop-2-ynylpropanamide?
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N-prop-2-ynylpropanamide has a molecular weight of 239.36 g/mol, XLogP of 0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N-prop-2-ynylpropanamide is sourced from PubChem (CID 54958686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).