N-[cyclohexyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine

C18H35NO — CID 116768366

IUPACN-[cyclohexyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(C1CCCCC1)C1(OCC)CCCC(C)C1
InChIInChI=1S/C18H35NO/c1-4-19-17(16-11-7-6-8-12-16)18(20-5-2)13-9-10-15(3)14-18/h15-17,19H,4-14H2,1-3H3
InChIKeyDROTUMKPXBEHKZ-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.53
Rot. Bonds6

About N-[cyclohexyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine

N-[cyclohexyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine (PubChem CID 116768366) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is N-[cyclohexyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclohexyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine
PubChem CID116768366
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC NameN-[cyclohexyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(C1CCCCC1)C1(OCC)CCCC(C)C1
InChIInChI=1S/C18H35NO/c1-4-19-17(16-11-7-6-8-12-16)18(20-5-2)13-9-10-15(3)14-18/h15-17,19H,4-14H2,1-3H3
InChIKeyDROTUMKPXBEHKZ-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine
CID 116768449
N-[cyclohexyl-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
CID 116768830
N-[cyclohexyl-(4-ethoxyoxan-4-yl)methyl]ethanamine
CID 116765789
cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methanamine
CID 116768145
N-[cyclopropyl-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine
CID 116767361
2-cyclohexyl-1-(1-ethoxy-3-methylcyclohexyl)ethanol
CID 116755222
N-[(3,4-dimethylcyclohexyl)-(1-ethoxycyclohexyl)methyl]ethanamine
CID 116764131
1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-5-methylhexan-1-amine
CID 116768455
N-[(1-ethoxy-3-methylcyclohexyl)-(oxolan-3-yl)methyl]propan-1-amine
CID 116768503
cyclopropyl-(1-ethoxy-3-methylcyclohexyl)methanol
CID 116755285
1-(1-ethoxy-3-methylcyclohexyl)-2-ethylbutan-1-amine
CID 116768094
2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116767988

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[cyclohexyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine (CID 116768366) is N-[cyclohexyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[cyclohexyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[cyclohexyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine is CCNC(C1CCCCC1)C1(OCC)CCCC(C)C1.
What is the InChIKey of N-[cyclohexyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine?
The InChIKey is DROTUMKPXBEHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-4-19-17(16-11-7-6-8-12-16)18(20-5-2)13-9-10-15(3)14-18/h15-17,19H,4-14H2,1-3H3.
What are the key properties of N-[cyclohexyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine?
N-[cyclohexyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine has a molecular weight of 281.48 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 116768366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).