3-(cyclohex-3-en-1-ylmethylamino)-2,3-dimethylbutan-2-ol

C13H25NO — CID 106185997

IUPAC3-(cyclohex-3-en-1-ylmethylamino)-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)NCC1CC=CCC1
InChIInChI=1S/C13H25NO/c1-12(2,13(3,4)15)14-10-11-8-6-5-7-9-11/h5-6,11,14-15H,7-10H2,1-4H3
InChIKeyHZFGEWJYIUWPPT-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.48
Rot. Bonds4

About 3-(cyclohex-3-en-1-ylmethylamino)-2,3-dimethylbutan-2-ol

3-(cyclohex-3-en-1-ylmethylamino)-2,3-dimethylbutan-2-ol (PubChem CID 106185997) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-(cyclohex-3-en-1-ylmethylamino)-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-(cyclohex-3-en-1-ylmethylamino)-2,3-dimethylbutan-2-ol
PubChem CID106185997
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name3-(cyclohex-3-en-1-ylmethylamino)-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)NCC1CC=CCC1
InChIInChI=1S/C13H25NO/c1-12(2,13(3,4)15)14-10-11-8-6-5-7-9-11/h5-6,11,14-15H,7-10H2,1-4H3
InChIKeyHZFGEWJYIUWPPT-UHFFFAOYSA-N
XLogP2.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohex-3-en-1-ylmethyl)-2-cyclopentylpropan-2-amine
CID 115868307
2-[[(1S)-cyclohex-3-en-1-yl]methylamino]-N,N,2-trimethylpropanamide
CID 97240049
1-(cyclohex-3-en-1-ylmethylamino)-2-phenylpropan-2-ol
CID 62373536
3-(cycloheptylmethylamino)-2,3-dimethylbutan-2-ol
CID 104694704
1-(cyclohex-3-en-1-ylmethylamino)-2-methylpentan-2-ol
CID 115756802
N-(cyclopent-3-en-1-ylmethyl)-2-methylpropan-2-amine
CID 65353678
2-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentanoic acid
CID 114994714
1-cyclohex-3-en-1-yl-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82721137
1-(cyclohex-3-en-1-ylmethylamino)-4-methoxy-2-methylbutan-2-ol
CID 103838373
3-(cyclohex-3-en-1-ylmethylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65263860
N-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylmethanamine
CID 43215811
N-(cyclohex-3-en-1-ylmethyl)-2,2,2-trifluoroacetamide
CID 54046672

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohex-3-en-1-ylmethylamino)-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-(cyclohex-3-en-1-ylmethylamino)-2,3-dimethylbutan-2-ol (CID 106185997) is 3-(cyclohex-3-en-1-ylmethylamino)-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-(cyclohex-3-en-1-ylmethylamino)-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-(cyclohex-3-en-1-ylmethylamino)-2,3-dimethylbutan-2-ol is CC(C)(O)C(C)(C)NCC1CC=CCC1.
What is the InChIKey of 3-(cyclohex-3-en-1-ylmethylamino)-2,3-dimethylbutan-2-ol?
The InChIKey is HZFGEWJYIUWPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-12(2,13(3,4)15)14-10-11-8-6-5-7-9-11/h5-6,11,14-15H,7-10H2,1-4H3.
What are the key properties of 3-(cyclohex-3-en-1-ylmethylamino)-2,3-dimethylbutan-2-ol?
3-(cyclohex-3-en-1-ylmethylamino)-2,3-dimethylbutan-2-ol has a molecular weight of 211.35 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohex-3-en-1-ylmethylamino)-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 106185997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).