1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-5-methylhexan-1-amine

C18H37NO — CID 116768455

IUPAC1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-5-methylhexan-1-amine
SMILESCCNC(CCCC(C)C)C1(OCC)CCCC(C)C1
InChIInChI=1S/C18H37NO/c1-6-19-17(12-8-10-15(3)4)18(20-7-2)13-9-11-16(5)14-18/h15-17,19H,6-14H2,1-5H3
InChIKeyPKMWCRFNQJSGMH-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.78
Rot. Bonds9

About 1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-5-methylhexan-1-amine

1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-5-methylhexan-1-amine (PubChem CID 116768455) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-5-methylhexan-1-amine.

Molecular Properties

Compound Name1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-5-methylhexan-1-amine
PubChem CID116768455
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-5-methylhexan-1-amine
SMILESCCNC(CCCC(C)C)C1(OCC)CCCC(C)C1
InChIInChI=1S/C18H37NO/c1-6-19-17(12-8-10-15(3)4)18(20-7-2)13-9-11-16(5)14-18/h15-17,19H,6-14H2,1-5H3
InChIKeyPKMWCRFNQJSGMH-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethoxycyclohexyl)-N-ethyl-5-methylhexan-1-amine
CID 116764152
1-(1-ethoxy-3-methylcyclohexyl)-4-ethylsulfonyl-N-methylbutan-1-amine
CID 116768268
N-[cyclohexyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine
CID 116768366
1-(1-ethoxy-3-methylcyclohexyl)-2-methoxy-N-methylethanamine
CID 116768285
N-[cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine
CID 116768449
1-(1-ethoxy-3-methylcyclohexyl)-N,4,4-trimethylpentan-1-amine
CID 116768244
1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-ol
CID 116755202
1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 116768464
1-(1-ethoxycyclopentyl)-N-ethylnonan-1-amine
CID 116762131
1-(1-ethoxy-3-methylcyclohexyl)butan-1-ol
CID 116755188
1-(1-ethoxy-4-methylcyclohexyl)-N,4-dimethylpentan-1-amine
CID 116767108
1-(1-ethoxy-3-methylcyclohexyl)-2-ethylbutan-1-amine
CID 116768094

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-5-methylhexan-1-amine?
The IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-5-methylhexan-1-amine (CID 116768455) is 1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-5-methylhexan-1-amine.
What is the SMILES notation for 1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-5-methylhexan-1-amine?
The canonical SMILES for 1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-5-methylhexan-1-amine is CCNC(CCCC(C)C)C1(OCC)CCCC(C)C1.
What is the InChIKey of 1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-5-methylhexan-1-amine?
The InChIKey is PKMWCRFNQJSGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-6-19-17(12-8-10-15(3)4)18(20-7-2)13-9-11-16(5)14-18/h15-17,19H,6-14H2,1-5H3.
What are the key properties of 1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-5-methylhexan-1-amine?
1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-5-methylhexan-1-amine has a molecular weight of 283.50 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-5-methylhexan-1-amine is sourced from PubChem (CID 116768455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).