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

C17H33NO — CID 116766990

IUPAC(1-ethoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methanamine
SMILESCCOC1(C(N)C2CCC(C)CC2)CCC(C)CC1
InChIInChI=1S/C17H33NO/c1-4-19-17(11-9-14(3)10-12-17)16(18)15-7-5-13(2)6-8-15/h13-16H,4-12,18H2,1-3H3
InChIKeyJDFKJBWZSIVZBF-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.13
Rot. Bonds4

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

(1-ethoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methanamine (PubChem CID 116766990) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is (1-ethoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name(1-ethoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methanamine
PubChem CID116766990
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name(1-ethoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methanamine
SMILESCCOC1(C(N)C2CCC(C)CC2)CCC(C)CC1
InChIInChI=1S/C17H33NO/c1-4-19-17(11-9-14(3)10-12-17)16(18)15-7-5-13(2)6-8-15/h13-16H,4-12,18H2,1-3H3
InChIKeyJDFKJBWZSIVZBF-UHFFFAOYSA-N
XLogP4.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-ethoxy-3-methylcyclohexyl)-(4-methylcyclohexyl)methanamine
CID 116768084
(1-ethoxy-4-methylcyclohexyl)-(3-ethylcyclohexyl)methanamine
CID 116767018
(1-ethoxy-4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 116766870
cyclopentyl-(4-ethoxyoxan-4-yl)methanamine
CID 116765524
(3,4-dimethylcyclohexyl)-(1-ethoxycyclopentyl)methanamine
CID 116761764
N-[cyclopropyl-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine
CID 116767361
cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methanamine
CID 116768145
(4-ethoxyoxan-4-yl)-(3-methylcyclohexyl)methanamine
CID 116765339
(1-ethoxy-4-methylcyclohexyl)-(2-phenylcyclopropyl)methanamine
CID 116766932
[(3,4-dimethylcyclohexyl)-(1-ethoxy-4-methylcyclohexyl)methyl]hydrazine
CID 105277347
1-(1-ethoxy-4-methylcyclohexyl)-2,2-dimethylpropan-1-ol
CID 116754852
N-[2-cyclopropyl-1-(1-ethoxy-4-methylcyclohexyl)ethyl]propan-1-amine
CID 116767388

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methanamine?
The IUPAC name of (1-ethoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methanamine (CID 116766990) is (1-ethoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methanamine.
What is the SMILES notation for (1-ethoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methanamine?
The canonical SMILES for (1-ethoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methanamine is CCOC1(C(N)C2CCC(C)CC2)CCC(C)CC1.
What is the InChIKey of (1-ethoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methanamine?
The InChIKey is JDFKJBWZSIVZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-4-19-17(11-9-14(3)10-12-17)16(18)15-7-5-13(2)6-8-15/h13-16H,4-12,18H2,1-3H3.
What are the key properties of (1-ethoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methanamine?
(1-ethoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methanamine has a molecular weight of 267.46 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methanamine is sourced from PubChem (CID 116766990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).