2-[[(1S)-cyclohex-2-en-1-yl]amino]-N,N,2-trimethylpropanamide

C12H22N2O — CID 95627711

IUPAC2-[[(1S)-cyclohex-2-en-1-yl]amino]-N,N,2-trimethylpropanamide
SMILESCN(C)C(=O)C(C)(C)N[C@@H]1C=CCCC1
InChIInChI=1S/C12H22N2O/c1-12(2,11(15)14(3)4)13-10-8-6-5-7-9-10/h6,8,10,13H,5,7,9H2,1-4H3/t10-/m1/s1
InChIKeyCKAABDUZDOAMAT-SNVBAGLBSA-N
MW210.32 g/mol
LogP1.55
Rot. Bonds3

About 2-[[(1S)-cyclohex-2-en-1-yl]amino]-N,N,2-trimethylpropanamide

2-[[(1S)-cyclohex-2-en-1-yl]amino]-N,N,2-trimethylpropanamide (PubChem CID 95627711) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-[[(1S)-cyclohex-2-en-1-yl]amino]-N,N,2-trimethylpropanamide.

Molecular Properties

Compound Name2-[[(1S)-cyclohex-2-en-1-yl]amino]-N,N,2-trimethylpropanamide
PubChem CID95627711
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-[[(1S)-cyclohex-2-en-1-yl]amino]-N,N,2-trimethylpropanamide
SMILESCN(C)C(=O)C(C)(C)N[C@@H]1C=CCCC1
InChIInChI=1S/C12H22N2O/c1-12(2,11(15)14(3)4)13-10-8-6-5-7-9-10/h6,8,10,13H,5,7,9H2,1-4H3/t10-/m1/s1
InChIKeyCKAABDUZDOAMAT-SNVBAGLBSA-N
XLogP1.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(tert-butyl)-N'-[2-(1-cyclohexen-1-yl)ethyl]ethanediamide
CID 2914644
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CID 72001115
(2S)-N-cyclohexyl-N-(cyclopropylmethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 164642181
2-amino-N-cyclohex-3-en-1-yl-3,3,3-trifluoro-2-methylpropanamide
CID 79811707
2-(cyclohex-3-en-1-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 116153459
N-cyclohex-2-en-1-yl-2,2-dimethylpropanamide
CID 13422185
2-[[(E)-oct-6-en-2-yl]amino]acetamide
CID 20221138
1-cyclohexyl-6-(propan-2-ylamino)-5,6-dihydro-2H-azepin-7-one
CID 20589776
1-Cyclohex-2-en-1-yl-3-(methylamino)azepan-2-one
CID 22984659
1-Cyclohex-3-en-1-yl-3-(methylamino)azepan-2-one
CID 22984667
2-(2-azabicyclo[2.2.2]oct-5-en-2-yl)-N-methylacetamide
CID 23039225
2-(Oct-6-en-2-ylamino)acetamide
CID 53710512

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-cyclohex-2-en-1-yl]amino]-N,N,2-trimethylpropanamide?
The IUPAC name of 2-[[(1S)-cyclohex-2-en-1-yl]amino]-N,N,2-trimethylpropanamide (CID 95627711) is 2-[[(1S)-cyclohex-2-en-1-yl]amino]-N,N,2-trimethylpropanamide.
What is the SMILES notation for 2-[[(1S)-cyclohex-2-en-1-yl]amino]-N,N,2-trimethylpropanamide?
The canonical SMILES for 2-[[(1S)-cyclohex-2-en-1-yl]amino]-N,N,2-trimethylpropanamide is CN(C)C(=O)C(C)(C)N[C@@H]1C=CCCC1.
What is the InChIKey of 2-[[(1S)-cyclohex-2-en-1-yl]amino]-N,N,2-trimethylpropanamide?
The InChIKey is CKAABDUZDOAMAT-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H22N2O/c1-12(2,11(15)14(3)4)13-10-8-6-5-7-9-10/h6,8,10,13H,5,7,9H2,1-4H3/t10-/m1/s1.
What are the key properties of 2-[[(1S)-cyclohex-2-en-1-yl]amino]-N,N,2-trimethylpropanamide?
2-[[(1S)-cyclohex-2-en-1-yl]amino]-N,N,2-trimethylpropanamide has a molecular weight of 210.32 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-cyclohex-2-en-1-yl]amino]-N,N,2-trimethylpropanamide is sourced from PubChem (CID 95627711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).