2-(2-methylprop-2-enylamino)-N-prop-2-ynylpropanamide

C10H16N2O — CID 114616816

IUPAC2-(2-methylprop-2-enylamino)-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)NCC(=C)C
InChIInChI=1S/C10H16N2O/c1-5-6-11-10(13)9(4)12-7-8(2)3/h1,9,12H,2,6-7H2,3-4H3,(H,11,13)
InChIKeyONLQOQZINHTQSV-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.29
Rot. Bonds5

About 2-(2-methylprop-2-enylamino)-N-prop-2-ynylpropanamide

2-(2-methylprop-2-enylamino)-N-prop-2-ynylpropanamide (PubChem CID 114616816) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(2-methylprop-2-enylamino)-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-(2-methylprop-2-enylamino)-N-prop-2-ynylpropanamide
PubChem CID114616816
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-(2-methylprop-2-enylamino)-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)NCC(=C)C
InChIInChI=1S/C10H16N2O/c1-5-6-11-10(13)9(4)12-7-8(2)3/h1,9,12H,2,6-7H2,3-4H3,(H,11,13)
InChIKeyONLQOQZINHTQSV-UHFFFAOYSA-N
XLogP0.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoethylamino)-N-prop-2-ynylpropanamide
CID 62140900
3-[[1-oxo-1-(prop-2-ynylamino)propan-2-yl]amino]propanoic acid
CID 43466719
2-iodo-N-prop-2-ynylpropanamide
CID 64789120
2-[2-(2-hydroxyethoxy)ethylamino]-N-prop-2-ynylpropanamide
CID 60720256
N-ethyl-2-(prop-2-ynylamino)propanamide
CID 43086396
2-[(4-hydroxy-2-methylbutyl)amino]-N-prop-2-ynylpropanamide
CID 66107036
2-(methoxyamino)-N-prop-2-ynylpropanamide
CID 60721257
2-[2-(diethylamino)ethylamino]-N-prop-2-ynylpropanamide
CID 43112763
2-(2-ethoxypropylamino)-N-prop-2-ynylpropanamide
CID 115663958
2-[(5-hydroxy-4-methylpentyl)amino]-N-prop-2-ynylpropanamide
CID 106160085
2-[2-[ethyl(propyl)amino]ethylamino]-N-prop-2-ynylpropanamide
CID 114133454
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-prop-2-ynylpropanamide
CID 43113233

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enylamino)-N-prop-2-ynylpropanamide?
The IUPAC name of 2-(2-methylprop-2-enylamino)-N-prop-2-ynylpropanamide (CID 114616816) is 2-(2-methylprop-2-enylamino)-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-(2-methylprop-2-enylamino)-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-(2-methylprop-2-enylamino)-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)NCC(=C)C.
What is the InChIKey of 2-(2-methylprop-2-enylamino)-N-prop-2-ynylpropanamide?
The InChIKey is ONLQOQZINHTQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-5-6-11-10(13)9(4)12-7-8(2)3/h1,9,12H,2,6-7H2,3-4H3,(H,11,13).
What are the key properties of 2-(2-methylprop-2-enylamino)-N-prop-2-ynylpropanamide?
2-(2-methylprop-2-enylamino)-N-prop-2-ynylpropanamide has a molecular weight of 180.25 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enylamino)-N-prop-2-ynylpropanamide is sourced from PubChem (CID 114616816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).