3-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclopentan-1-ol

C15H27NO — CID 106121040

IUPAC3-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclopentan-1-ol
SMILESCC1=CC(C)CC(CNCC2CCC(O)C2)C1
InChIInChI=1S/C15H27NO/c1-11-5-12(2)7-14(6-11)10-16-9-13-3-4-15(17)8-13/h5,11,13-17H,3-4,6-10H2,1-2H3
InChIKeyWHAZMCLNWICPJV-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.73
Rot. Bonds4

About 3-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclopentan-1-ol

3-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclopentan-1-ol (PubChem CID 106121040) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclopentan-1-ol
PubChem CID106121040
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name3-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclopentan-1-ol
SMILESCC1=CC(C)CC(CNCC2CCC(O)C2)C1
InChIInChI=1S/C15H27NO/c1-11-5-12(2)7-14(6-11)10-16-9-13-3-4-15(17)8-13/h5,11,13-17H,3-4,6-10H2,1-2H3
InChIKeyWHAZMCLNWICPJV-UHFFFAOYSA-N
XLogP2.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.73
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

1-cyclobutyl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]methanamine
CID 103276186
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]propan-1-amine
CID 103275920
2-bromo-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]prop-2-en-1-amine
CID 103277074
2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]acetic acid
CID 103276172
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 103277162
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 103276638
1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-ethylphenyl)methyl]methanamine
CID 106899565
1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-fluorophenyl)methyl]methanamine
CID 103276026
2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]ethanesulfonamide
CID 103276204
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 103277023
1-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-3-ethylpentan-2-ol
CID 114168296
ethyl 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]acetate
CID 103276524

Frequently Asked Questions

What is the IUPAC name of 3-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclopentan-1-ol (CID 106121040) is 3-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclopentan-1-ol is CC1=CC(C)CC(CNCC2CCC(O)C2)C1.
What is the InChIKey of 3-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclopentan-1-ol?
The InChIKey is WHAZMCLNWICPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-11-5-12(2)7-14(6-11)10-16-9-13-3-4-15(17)8-13/h5,11,13-17H,3-4,6-10H2,1-2H3.
What are the key properties of 3-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclopentan-1-ol?
3-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclopentan-1-ol has a molecular weight of 237.39 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 106121040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).