1-(cyclohex-2-en-1-yloxymethyl)cyclohexan-1-amine

C13H23NO — CID 114620327

IUPAC1-(cyclohex-2-en-1-yloxymethyl)cyclohexan-1-amine
SMILESNC1(COC2C=CCCC2)CCCCC1
InChIInChI=1S/C13H23NO/c14-13(9-5-2-6-10-13)11-15-12-7-3-1-4-8-12/h3,7,12H,1-2,4-6,8-11,14H2
InChIKeyBQMFQLQFSUCKGP-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.77
Rot. Bonds3

About 1-(cyclohex-2-en-1-yloxymethyl)cyclohexan-1-amine

1-(cyclohex-2-en-1-yloxymethyl)cyclohexan-1-amine (PubChem CID 114620327) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-(cyclohex-2-en-1-yloxymethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(cyclohex-2-en-1-yloxymethyl)cyclohexan-1-amine
PubChem CID114620327
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-(cyclohex-2-en-1-yloxymethyl)cyclohexan-1-amine
SMILESNC1(COC2C=CCCC2)CCCCC1
InChIInChI=1S/C13H23NO/c14-13(9-5-2-6-10-13)11-15-12-7-3-1-4-8-12/h3,7,12H,1-2,4-6,8-11,14H2
InChIKeyBQMFQLQFSUCKGP-UHFFFAOYSA-N
XLogP2.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.77
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-(cyclohexyloxymethyl)cycloheptan-1-amine
CID 64548745
2-[(2Z)-cyclooct-2-en-1-yl]oxyethanol
CID 130297683
1-[(3-methylcyclohexyl)oxymethyl]cycloheptan-1-amine
CID 64548755
2-[(1-aminocyclohexyl)methoxy]cycloheptan-1-ol
CID 106940021
1-[(3-ethylcyclohexyl)oxymethyl]cyclohexan-1-amine
CID 64571862
2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-methylacetamide
CID 167046429
(1Z)-3-hydroperoxycyclodecene
CID 10397221
3-(3-methoxypropoxy)cyclohexene
CID 141179589
3-but-2-ynoxycyclohexene
CID 15890715
3-[(2E)-cyclooct-2-en-1-yl]oxypropanehydrazide
CID 155273444
cyclohex-2-en-1-yl hypoiodite
CID 154559496
1-[(2-ethylcyclohexyl)oxymethyl]cyclohexan-1-amine
CID 64574195

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohex-2-en-1-yloxymethyl)cyclohexan-1-amine?
The IUPAC name of 1-(cyclohex-2-en-1-yloxymethyl)cyclohexan-1-amine (CID 114620327) is 1-(cyclohex-2-en-1-yloxymethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(cyclohex-2-en-1-yloxymethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(cyclohex-2-en-1-yloxymethyl)cyclohexan-1-amine is NC1(COC2C=CCCC2)CCCCC1.
What is the InChIKey of 1-(cyclohex-2-en-1-yloxymethyl)cyclohexan-1-amine?
The InChIKey is BQMFQLQFSUCKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c14-13(9-5-2-6-10-13)11-15-12-7-3-1-4-8-12/h3,7,12H,1-2,4-6,8-11,14H2.
What are the key properties of 1-(cyclohex-2-en-1-yloxymethyl)cyclohexan-1-amine?
1-(cyclohex-2-en-1-yloxymethyl)cyclohexan-1-amine has a molecular weight of 209.33 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-2-en-1-yloxymethyl)cyclohexan-1-amine is sourced from PubChem (CID 114620327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).