(2-cyclohex-2-en-1-yloxycyclohexyl)methanamine

C13H23NO — CID 114620333

IUPAC(2-cyclohex-2-en-1-yloxycyclohexyl)methanamine
SMILESNCC1CCCCC1OC1C=CCCC1
InChIInChI=1S/C13H23NO/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h2,7,11-13H,1,3-6,8-10,14H2
InChIKeyCLGFREOZRHMATE-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.63
Rot. Bonds3

About (2-cyclohex-2-en-1-yloxycyclohexyl)methanamine

(2-cyclohex-2-en-1-yloxycyclohexyl)methanamine (PubChem CID 114620333) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (2-cyclohex-2-en-1-yloxycyclohexyl)methanamine.

Molecular Properties

Compound Name(2-cyclohex-2-en-1-yloxycyclohexyl)methanamine
PubChem CID114620333
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(2-cyclohex-2-en-1-yloxycyclohexyl)methanamine
SMILESNCC1CCCCC1OC1C=CCCC1
InChIInChI=1S/C13H23NO/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h2,7,11-13H,1,3-6,8-10,14H2
InChIKeyCLGFREOZRHMATE-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-cyclohex-2-en-1-yloxycyclohexyl)methanamine?
The IUPAC name of (2-cyclohex-2-en-1-yloxycyclohexyl)methanamine (CID 114620333) is (2-cyclohex-2-en-1-yloxycyclohexyl)methanamine.
What is the SMILES notation for (2-cyclohex-2-en-1-yloxycyclohexyl)methanamine?
The canonical SMILES for (2-cyclohex-2-en-1-yloxycyclohexyl)methanamine is NCC1CCCCC1OC1C=CCCC1.
What is the InChIKey of (2-cyclohex-2-en-1-yloxycyclohexyl)methanamine?
The InChIKey is CLGFREOZRHMATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h2,7,11-13H,1,3-6,8-10,14H2.
What are the key properties of (2-cyclohex-2-en-1-yloxycyclohexyl)methanamine?
(2-cyclohex-2-en-1-yloxycyclohexyl)methanamine has a molecular weight of 209.33 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohex-2-en-1-yloxycyclohexyl)methanamine is sourced from PubChem (CID 114620333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).