(1-ethoxy-4-methylcyclohexyl)-(3-ethylcyclohexyl)methanamine

C18H35NO — CID 116767018

IUPAC(1-ethoxy-4-methylcyclohexyl)-(3-ethylcyclohexyl)methanamine
SMILESCCOC1(C(N)C2CCCC(CC)C2)CCC(C)CC1
InChIInChI=1S/C18H35NO/c1-4-15-7-6-8-16(13-15)17(19)18(20-5-2)11-9-14(3)10-12-18/h14-17H,4-13,19H2,1-3H3
InChIKeyQFLWVQMYOLQDKW-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.52
Rot. Bonds5

About (1-ethoxy-4-methylcyclohexyl)-(3-ethylcyclohexyl)methanamine

(1-ethoxy-4-methylcyclohexyl)-(3-ethylcyclohexyl)methanamine (PubChem CID 116767018) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is (1-ethoxy-4-methylcyclohexyl)-(3-ethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(1-ethoxy-4-methylcyclohexyl)-(3-ethylcyclohexyl)methanamine
PubChem CID116767018
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name(1-ethoxy-4-methylcyclohexyl)-(3-ethylcyclohexyl)methanamine
SMILESCCOC1(C(N)C2CCCC(CC)C2)CCC(C)CC1
InChIInChI=1S/C18H35NO/c1-4-15-7-6-8-16(13-15)17(19)18(20-5-2)11-9-14(3)10-12-18/h14-17H,4-13,19H2,1-3H3
InChIKeyQFLWVQMYOLQDKW-UHFFFAOYSA-N
XLogP4.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethoxyoxan-4-yl)-(3-ethylcyclohexyl)methanamine
CID 116765468
(3-ethylcyclohexyl)-(1-methoxycyclobutyl)methanamine
CID 116714053
(1-ethoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methanamine
CID 116766990
(4-ethoxyoxan-4-yl)-(3-methylcyclohexyl)methanamine
CID 116765339
(1-ethoxy-4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 116766870
(3,4-dimethylcyclohexyl)-(1-ethoxycyclopentyl)methanamine
CID 116761764
N-[(3-ethylcyclohexyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine
CID 116766696
cyclopentyl-(4-ethoxyoxan-4-yl)methanamine
CID 116765524
(1-ethoxy-3-methylcyclohexyl)-(4-methylcyclohexyl)methanamine
CID 116768084
cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methanamine
CID 116768145
1-(1-ethoxy-4-methylcyclohexyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 116767209
(1-ethoxy-4-methylcyclohexyl)-(2-phenylcyclopropyl)methanamine
CID 116766932

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-4-methylcyclohexyl)-(3-ethylcyclohexyl)methanamine?
The IUPAC name of (1-ethoxy-4-methylcyclohexyl)-(3-ethylcyclohexyl)methanamine (CID 116767018) is (1-ethoxy-4-methylcyclohexyl)-(3-ethylcyclohexyl)methanamine.
What is the SMILES notation for (1-ethoxy-4-methylcyclohexyl)-(3-ethylcyclohexyl)methanamine?
The canonical SMILES for (1-ethoxy-4-methylcyclohexyl)-(3-ethylcyclohexyl)methanamine is CCOC1(C(N)C2CCCC(CC)C2)CCC(C)CC1.
What is the InChIKey of (1-ethoxy-4-methylcyclohexyl)-(3-ethylcyclohexyl)methanamine?
The InChIKey is QFLWVQMYOLQDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-4-15-7-6-8-16(13-15)17(19)18(20-5-2)11-9-14(3)10-12-18/h14-17H,4-13,19H2,1-3H3.
What are the key properties of (1-ethoxy-4-methylcyclohexyl)-(3-ethylcyclohexyl)methanamine?
(1-ethoxy-4-methylcyclohexyl)-(3-ethylcyclohexyl)methanamine has a molecular weight of 281.48 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-4-methylcyclohexyl)-(3-ethylcyclohexyl)methanamine is sourced from PubChem (CID 116767018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).