(1-ethoxycyclohexyl)-(2-ethylcyclohexyl)methanamine

C17H33NO — CID 116763744

IUPAC(1-ethoxycyclohexyl)-(2-ethylcyclohexyl)methanamine
SMILESCCOC1(C(N)C2CCCCC2CC)CCCCC1
InChIInChI=1S/C17H33NO/c1-3-14-10-6-7-11-15(14)16(18)17(19-4-2)12-8-5-9-13-17/h14-16H,3-13,18H2,1-2H3
InChIKeyXQIXMNZLEGKZLO-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.27
Rot. Bonds5

About (1-ethoxycyclohexyl)-(2-ethylcyclohexyl)methanamine

(1-ethoxycyclohexyl)-(2-ethylcyclohexyl)methanamine (PubChem CID 116763744) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is (1-ethoxycyclohexyl)-(2-ethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(1-ethoxycyclohexyl)-(2-ethylcyclohexyl)methanamine
PubChem CID116763744
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name(1-ethoxycyclohexyl)-(2-ethylcyclohexyl)methanamine
SMILESCCOC1(C(N)C2CCCCC2CC)CCCCC1
InChIInChI=1S/C17H33NO/c1-3-14-10-6-7-11-15(14)16(18)17(19-4-2)12-8-5-9-13-17/h14-16H,3-13,18H2,1-2H3
InChIKeyXQIXMNZLEGKZLO-UHFFFAOYSA-N
XLogP4.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-ethoxycyclohexyl)-(2-ethylcyclohexyl)methanamine?
The IUPAC name of (1-ethoxycyclohexyl)-(2-ethylcyclohexyl)methanamine (CID 116763744) is (1-ethoxycyclohexyl)-(2-ethylcyclohexyl)methanamine.
What is the SMILES notation for (1-ethoxycyclohexyl)-(2-ethylcyclohexyl)methanamine?
The canonical SMILES for (1-ethoxycyclohexyl)-(2-ethylcyclohexyl)methanamine is CCOC1(C(N)C2CCCCC2CC)CCCCC1.
What is the InChIKey of (1-ethoxycyclohexyl)-(2-ethylcyclohexyl)methanamine?
The InChIKey is XQIXMNZLEGKZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-3-14-10-6-7-11-15(14)16(18)17(19-4-2)12-8-5-9-13-17/h14-16H,3-13,18H2,1-2H3.
What are the key properties of (1-ethoxycyclohexyl)-(2-ethylcyclohexyl)methanamine?
(1-ethoxycyclohexyl)-(2-ethylcyclohexyl)methanamine has a molecular weight of 267.46 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxycyclohexyl)-(2-ethylcyclohexyl)methanamine is sourced from PubChem (CID 116763744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).