1-(4-ethoxycyclohexyl)cyclohexan-1-amine

C14H27NO — CID 66769157

IUPAC1-(4-ethoxycyclohexyl)cyclohexan-1-amine
SMILESCCOC1CCC(C2(N)CCCCC2)CC1
InChIInChI=1S/C14H27NO/c1-2-16-13-8-6-12(7-9-13)14(15)10-4-3-5-11-14/h12-13H,2-11,15H2,1H3
InChIKeyVIJKDQUVFZSKOG-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.24
Rot. Bonds3

About 1-(4-ethoxycyclohexyl)cyclohexan-1-amine

1-(4-ethoxycyclohexyl)cyclohexan-1-amine (PubChem CID 66769157) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(4-ethoxycyclohexyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(4-ethoxycyclohexyl)cyclohexan-1-amine
PubChem CID66769157
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-(4-ethoxycyclohexyl)cyclohexan-1-amine
SMILESCCOC1CCC(C2(N)CCCCC2)CC1
InChIInChI=1S/C14H27NO/c1-2-16-13-8-6-12(7-9-13)14(15)10-4-3-5-11-14/h12-13H,2-11,15H2,1H3
InChIKeyVIJKDQUVFZSKOG-UHFFFAOYSA-N
XLogP3.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxycyclohexyl)cyclohexan-1-amine?
The IUPAC name of 1-(4-ethoxycyclohexyl)cyclohexan-1-amine (CID 66769157) is 1-(4-ethoxycyclohexyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(4-ethoxycyclohexyl)cyclohexan-1-amine?
The canonical SMILES for 1-(4-ethoxycyclohexyl)cyclohexan-1-amine is CCOC1CCC(C2(N)CCCCC2)CC1.
What is the InChIKey of 1-(4-ethoxycyclohexyl)cyclohexan-1-amine?
The InChIKey is VIJKDQUVFZSKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-2-16-13-8-6-12(7-9-13)14(15)10-4-3-5-11-14/h12-13H,2-11,15H2,1H3.
What are the key properties of 1-(4-ethoxycyclohexyl)cyclohexan-1-amine?
1-(4-ethoxycyclohexyl)cyclohexan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxycyclohexyl)cyclohexan-1-amine is sourced from PubChem (CID 66769157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).