2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-prop-2-ynylacetamide

C12H22N2O — CID 112726197

IUPAC2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN(C)C(C)C(C)(C)C
InChIInChI=1S/C12H22N2O/c1-7-8-13-11(15)9-14(6)10(2)12(3,4)5/h1,10H,8-9H2,2-6H3,(H,13,15)
InChIKeyDAMSQTITTPSGCY-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.10
Rot. Bonds4

About 2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-prop-2-ynylacetamide

2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-prop-2-ynylacetamide (PubChem CID 112726197) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-prop-2-ynylacetamide
PubChem CID112726197
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN(C)C(C)C(C)(C)C
InChIInChI=1S/C12H22N2O/c1-7-8-13-11(15)9-14(6)10(2)12(3,4)5/h1,10H,8-9H2,2-6H3,(H,13,15)
InChIKeyDAMSQTITTPSGCY-UHFFFAOYSA-N
XLogP1.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2S)-3,3-dimethylbutan-2-yl]-methylamino]-N-(ethylcarbamoyl)acetamide
CID 34442127
2-[methyl(2-methylbutan-2-yl)amino]-N-prop-2-ynylacetamide
CID 78963427
2-iodo-N-prop-2-ynylpropanamide
CID 64789120
2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 55010254
2-[1-(4-fluorophenyl)ethyl-methylamino]-N-prop-2-ynylacetamide
CID 47014928
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-prop-2-ynylacetamide
CID 116653113
2-[tert-butyl-[2-oxo-2-(prop-2-ynylamino)ethyl]amino]acetic acid
CID 79269288
1-cyclopropyl-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanone
CID 63914315
2-[ethyl-[2-oxo-2-(prop-2-ynylamino)ethyl]amino]-2-methylpropanoic acid
CID 62820145
N'-(3-hydroxy-2,2,4-trimethylpentyl)-N-prop-2-ynylpropanediamide
CID 110017612
methyl 2-[methyl-[2-oxo-2-(prop-2-ynylamino)ethyl]amino]acetate
CID 60673152
2-[cyclopropylmethyl(propan-2-yl)amino]-N-prop-2-ynylacetamide
CID 112731200

Frequently Asked Questions

What is the IUPAC name of 2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-prop-2-ynylacetamide?
The IUPAC name of 2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-prop-2-ynylacetamide (CID 112726197) is 2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-prop-2-ynylacetamide?
The canonical SMILES for 2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-prop-2-ynylacetamide is C#CCNC(=O)CN(C)C(C)C(C)(C)C.
What is the InChIKey of 2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-prop-2-ynylacetamide?
The InChIKey is DAMSQTITTPSGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-7-8-13-11(15)9-14(6)10(2)12(3,4)5/h1,10H,8-9H2,2-6H3,(H,13,15).
What are the key properties of 2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-prop-2-ynylacetamide?
2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-prop-2-ynylacetamide has a molecular weight of 210.32 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-prop-2-ynylacetamide is sourced from PubChem (CID 112726197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).