2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-prop-2-ynylpropanamide

C13H25N3O — CID 43113233

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

About 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-prop-2-ynylpropanamide

2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-prop-2-ynylpropanamide (PubChem CID 43113233) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-prop-2-ynylpropanamide
PubChem CID43113233
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)NCC(C)(C)CN(C)C
InChIInChI=1S/C13H25N3O/c1-7-8-14-12(17)11(2)15-9-13(3,4)10-16(5)6/h1,11,15H,8-10H2,2-6H3,(H,14,17)
InChIKeyTWZREIIVIFAFKZ-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-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-prop-2-ynylpropanamide
CID 114150009
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115571432
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-methylpropanamide
CID 43086299
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]propanamide
CID 43086297
3-[[1-oxo-1-(prop-2-ynylamino)propan-2-yl]amino]propanoic acid
CID 43466719
2-(2-aminoethylamino)-N-prop-2-ynylpropanamide
CID 62140900
(2S)-2-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]propanoic acid
CID 78967764
2-(2-methylprop-2-enylamino)-N-prop-2-ynylpropanamide
CID 114616816
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N-prop-2-ynylpropanamide
CID 54958686
2-[2-(diethylamino)ethylamino]-N-prop-2-ynylpropanamide
CID 43112763
2-iodo-N-prop-2-ynylpropanamide
CID 64789120
N-ethyl-2-(prop-2-ynylamino)propanamide
CID 43086396

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-prop-2-ynylpropanamide?
The IUPAC name of 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-prop-2-ynylpropanamide (CID 43113233) is 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)NCC(C)(C)CN(C)C.
What is the InChIKey of 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-prop-2-ynylpropanamide?
The InChIKey is TWZREIIVIFAFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-7-8-14-12(17)11(2)15-9-13(3,4)10-16(5)6/h1,11,15H,8-10H2,2-6H3,(H,14,17).
What are the key properties of 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-prop-2-ynylpropanamide?
2-[[3-(dimethylamino)-2,2-dimethylpropyl]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-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-prop-2-ynylpropanamide is sourced from PubChem (CID 43113233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).