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

C17H33NO — CID 116768084

IUPAC(1-ethoxy-3-methylcyclohexyl)-(4-methylcyclohexyl)methanamine
SMILESCCOC1(C(N)C2CCC(C)CC2)CCCC(C)C1
InChIInChI=1S/C17H33NO/c1-4-19-17(11-5-6-14(3)12-17)16(18)15-9-7-13(2)8-10-15/h13-16H,4-12,18H2,1-3H3
InChIKeyHLFIVGRDKYVHAZ-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.13
Rot. Bonds4

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

(1-ethoxy-3-methylcyclohexyl)-(4-methylcyclohexyl)methanamine (PubChem CID 116768084) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is (1-ethoxy-3-methylcyclohexyl)-(4-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name(1-ethoxy-3-methylcyclohexyl)-(4-methylcyclohexyl)methanamine
PubChem CID116768084
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name(1-ethoxy-3-methylcyclohexyl)-(4-methylcyclohexyl)methanamine
SMILESCCOC1(C(N)C2CCC(C)CC2)CCCC(C)C1
InChIInChI=1S/C17H33NO/c1-4-19-17(11-5-6-14(3)12-17)16(18)15-9-7-13(2)8-10-15/h13-16H,4-12,18H2,1-3H3
InChIKeyHLFIVGRDKYVHAZ-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

cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methanamine
CID 116768145
(1-ethoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methanamine
CID 116766990
(1-ethoxy-3-methylcyclohexyl)-(oxolan-3-yl)methanamine
CID 116768060
2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116767988
cyclopropyl-(1-ethoxy-3-methylcyclohexyl)methanol
CID 116755285
1-(1-ethoxy-3-methylcyclohexyl)-2-ethylbutan-1-amine
CID 116768094
1-(1-ethoxy-3-methylcyclohexyl)-2-methoxyethanamine
CID 116768089
1-(1-ethoxy-3-methylcyclohexyl)butan-1-ol
CID 116755188
1-(1-ethoxy-3-methylcyclohexyl)-2,2-dimethylpropan-1-ol
CID 116755351
1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-ol
CID 116755202
1-(1-ethoxy-3-methylcyclohexyl)-3-methylidenepentan-1-amine
CID 116768117
(3,4-dimethylcyclohexyl)-(1-ethoxycyclopentyl)methanamine
CID 116761764

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-3-methylcyclohexyl)-(4-methylcyclohexyl)methanamine?
The IUPAC name of (1-ethoxy-3-methylcyclohexyl)-(4-methylcyclohexyl)methanamine (CID 116768084) is (1-ethoxy-3-methylcyclohexyl)-(4-methylcyclohexyl)methanamine.
What is the SMILES notation for (1-ethoxy-3-methylcyclohexyl)-(4-methylcyclohexyl)methanamine?
The canonical SMILES for (1-ethoxy-3-methylcyclohexyl)-(4-methylcyclohexyl)methanamine is CCOC1(C(N)C2CCC(C)CC2)CCCC(C)C1.
What is the InChIKey of (1-ethoxy-3-methylcyclohexyl)-(4-methylcyclohexyl)methanamine?
The InChIKey is HLFIVGRDKYVHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-4-19-17(11-5-6-14(3)12-17)16(18)15-9-7-13(2)8-10-15/h13-16H,4-12,18H2,1-3H3.
What are the key properties of (1-ethoxy-3-methylcyclohexyl)-(4-methylcyclohexyl)methanamine?
(1-ethoxy-3-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-3-methylcyclohexyl)-(4-methylcyclohexyl)methanamine is sourced from PubChem (CID 116768084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).