2-(ethylamino)-2-methyl-N-prop-2-ynylpropanamide

C9H16N2O — CID 62832671

IUPAC2-(ethylamino)-2-methyl-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)(C)NCC
InChIInChI=1S/C9H16N2O/c1-5-7-10-8(12)9(3,4)11-6-2/h1,11H,6-7H2,2-4H3,(H,10,12)
InChIKeyCIYJFIUVEADBEZ-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.12
Rot. Bonds4

About 2-(ethylamino)-2-methyl-N-prop-2-ynylpropanamide

2-(ethylamino)-2-methyl-N-prop-2-ynylpropanamide (PubChem CID 62832671) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-N-prop-2-ynylpropanamide
PubChem CID62832671
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-(ethylamino)-2-methyl-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)(C)NCC
InChIInChI=1S/C9H16N2O/c1-5-7-10-8(12)9(3,4)11-6-2/h1,11H,6-7H2,2-4H3,(H,10,12)
InChIKeyCIYJFIUVEADBEZ-UHFFFAOYSA-N
XLogP0.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.12
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-(cyanomethyl)-2-(ethylamino)-2-methylpropanamide
CID 62835754
2,2-difluoro-N-prop-2-ynylpropanamide
CID 126994443
2-bromo-2-methyl-N-prop-2-ynylpropanamide
CID 101481850
2-(ethylamino)-2-methyl-N-octylpropanamide
CID 113337256
2-(ethylamino)-2-methyl-N-(2-methylprop-2-enyl)propanamide
CID 114617159
3-chloro-2,2-dimethyl-N-prop-2-ynylpropanamide
CID 63679765
3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66176397
2-(ethylamino)-N-(2-methoxy-2-methylpropyl)-2-methylpropanamide
CID 104761328
2-(ethylamino)-2-methyl-N-(2-methylsulfanylethyl)propanamide
CID 63958213
2-(ethylamino)-2-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propanamide
CID 79362603
2-(ethylamino)-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylpropanamide
CID 106255258
3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-methylpropanoic acid
CID 62836702

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-N-prop-2-ynylpropanamide?
The IUPAC name of 2-(ethylamino)-2-methyl-N-prop-2-ynylpropanamide (CID 62832671) is 2-(ethylamino)-2-methyl-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-(ethylamino)-2-methyl-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-(ethylamino)-2-methyl-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)(C)NCC.
What is the InChIKey of 2-(ethylamino)-2-methyl-N-prop-2-ynylpropanamide?
The InChIKey is CIYJFIUVEADBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-5-7-10-8(12)9(3,4)11-6-2/h1,11H,6-7H2,2-4H3,(H,10,12).
What are the key properties of 2-(ethylamino)-2-methyl-N-prop-2-ynylpropanamide?
2-(ethylamino)-2-methyl-N-prop-2-ynylpropanamide has a molecular weight of 168.24 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-N-prop-2-ynylpropanamide is sourced from PubChem (CID 62832671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).