4-(4-methylcyclohexyl)oxycyclohex-2-en-1-amine

C13H23NO — CID 163451335

IUPAC4-(4-methylcyclohexyl)oxycyclohex-2-en-1-amine
SMILESCC1CCC(OC2C=CC(N)CC2)CC1
InChIInChI=1S/C13H23NO/c1-10-2-6-12(7-3-10)15-13-8-4-11(14)5-9-13/h4,8,10-13H,2-3,5-7,9,14H2,1H3
InChIKeyBGWAJJIWOCOQGJ-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.63
Rot. Bonds2

About 4-(4-methylcyclohexyl)oxycyclohex-2-en-1-amine

4-(4-methylcyclohexyl)oxycyclohex-2-en-1-amine (PubChem CID 163451335) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 4-(4-methylcyclohexyl)oxycyclohex-2-en-1-amine.

Molecular Properties

Compound Name4-(4-methylcyclohexyl)oxycyclohex-2-en-1-amine
PubChem CID163451335
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name4-(4-methylcyclohexyl)oxycyclohex-2-en-1-amine
SMILESCC1CCC(OC2C=CC(N)CC2)CC1
InChIInChI=1S/C13H23NO/c1-10-2-6-12(7-3-10)15-13-8-4-11(14)5-9-13/h4,8,10-13H,2-3,5-7,9,14H2,1H3
InChIKeyBGWAJJIWOCOQGJ-UHFFFAOYSA-N
XLogP2.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.63
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

1-(3,4,4a,8a-tetrahydro-2H-chromen-4-yl)ethanamine
CID 21843638
(2R)-1-(4-cyclohexyloxycyclohexa-2,4-dien-1-yl)propan-2-amine
CID 68360875
4-(Cyclopropylmethoxy)-2-methylcyclohex-2-en-1-amine
CID 89073997
(1S,5R,6R)-3,6-dimethyl-5-pentan-3-yloxycyclohex-3-en-1-amine
CID 90324142
4-[(E)-2-(4-methoxycyclohexyl)ethenyl]cyclohexan-1-amine
CID 140417068
(2R,3R,5S)-3,5-dimethyl-2-[(Z)-prop-1-enyl]oxan-4-amine
CID 143794731
(2R)-6-methoxy-5-methyldec-7-en-2-amine
CID 169952429
5,5-Dimethyl-3-(propan-2-yloxymethyl)cyclohex-2-en-1-amine
CID 79569090
4-Cyclohex-2-en-1-yloxycyclohexan-1-amine
CID 102729307
(2-Cyclohex-2-en-1-yloxycyclohexyl)methanamine
CID 114620333
[2-(Cyclohex-2-en-1-yloxymethyl)cyclohexyl]methanamine
CID 114620334
3-(Methoxymethyl)-5-methylcyclohex-2-en-1-amine
CID 130595881

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylcyclohexyl)oxycyclohex-2-en-1-amine?
The IUPAC name of 4-(4-methylcyclohexyl)oxycyclohex-2-en-1-amine (CID 163451335) is 4-(4-methylcyclohexyl)oxycyclohex-2-en-1-amine.
What is the SMILES notation for 4-(4-methylcyclohexyl)oxycyclohex-2-en-1-amine?
The canonical SMILES for 4-(4-methylcyclohexyl)oxycyclohex-2-en-1-amine is CC1CCC(OC2C=CC(N)CC2)CC1.
What is the InChIKey of 4-(4-methylcyclohexyl)oxycyclohex-2-en-1-amine?
The InChIKey is BGWAJJIWOCOQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-10-2-6-12(7-3-10)15-13-8-4-11(14)5-9-13/h4,8,10-13H,2-3,5-7,9,14H2,1H3.
What are the key properties of 4-(4-methylcyclohexyl)oxycyclohex-2-en-1-amine?
4-(4-methylcyclohexyl)oxycyclohex-2-en-1-amine has a molecular weight of 209.33 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylcyclohexyl)oxycyclohex-2-en-1-amine is sourced from PubChem (CID 163451335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).