1-(1-ethoxy-3-methylcyclohexyl)-N,4,4-trimethylpentan-1-amine

C17H35NO — CID 116768244

IUPAC1-(1-ethoxy-3-methylcyclohexyl)-N,4,4-trimethylpentan-1-amine
SMILESCCOC1(C(CCC(C)(C)C)NC)CCCC(C)C1
InChIInChI=1S/C17H35NO/c1-7-19-17(11-8-9-14(2)13-17)15(18-6)10-12-16(3,4)5/h14-15,18H,7-13H2,1-6H3
InChIKeyZGDOOCJTOUJTET-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.39
Rot. Bonds6

About 1-(1-ethoxy-3-methylcyclohexyl)-N,4,4-trimethylpentan-1-amine

1-(1-ethoxy-3-methylcyclohexyl)-N,4,4-trimethylpentan-1-amine (PubChem CID 116768244) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 1-(1-ethoxy-3-methylcyclohexyl)-N,4,4-trimethylpentan-1-amine.

Molecular Properties

Compound Name1-(1-ethoxy-3-methylcyclohexyl)-N,4,4-trimethylpentan-1-amine
PubChem CID116768244
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name1-(1-ethoxy-3-methylcyclohexyl)-N,4,4-trimethylpentan-1-amine
SMILESCCOC1(C(CCC(C)(C)C)NC)CCCC(C)C1
InChIInChI=1S/C17H35NO/c1-7-19-17(11-8-9-14(2)13-17)15(18-6)10-12-16(3,4)5/h14-15,18H,7-13H2,1-6H3
InChIKeyZGDOOCJTOUJTET-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethoxy-3-methylcyclohexyl)-2-methoxy-N-methylethanamine
CID 116768285
1-(1-ethoxy-3-methylcyclohexyl)-4-ethylsulfonyl-N-methylbutan-1-amine
CID 116768268
1-(1-ethoxy-3-methylcyclohexyl)-2,2-dimethylpropan-1-ol
CID 116755351
1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-5-methylhexan-1-amine
CID 116768455
1-(1-ethoxy-3-methylcyclohexyl)-2-(4-iodophenyl)-N-methylethanamine
CID 116768271
1-(1-ethoxy-3-methylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051193
1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-ol
CID 116755202
1-(1-methoxycyclohexyl)-N,4,4-trimethylpentan-1-amine
CID 116762900
1-(1-ethoxy-3-methylcyclohexyl)butan-1-ol
CID 116755188
1-(1-ethoxy-3-methylcyclohexyl)-2-ethylbutan-1-amine
CID 116768094
cyclopropyl-(1-ethoxy-3-methylcyclohexyl)methanol
CID 116755285
1-(1-ethoxy-4-methylcyclohexyl)-N,4-dimethylpentan-1-amine
CID 116767108

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)-N,4,4-trimethylpentan-1-amine?
The IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)-N,4,4-trimethylpentan-1-amine (CID 116768244) is 1-(1-ethoxy-3-methylcyclohexyl)-N,4,4-trimethylpentan-1-amine.
What is the SMILES notation for 1-(1-ethoxy-3-methylcyclohexyl)-N,4,4-trimethylpentan-1-amine?
The canonical SMILES for 1-(1-ethoxy-3-methylcyclohexyl)-N,4,4-trimethylpentan-1-amine is CCOC1(C(CCC(C)(C)C)NC)CCCC(C)C1.
What is the InChIKey of 1-(1-ethoxy-3-methylcyclohexyl)-N,4,4-trimethylpentan-1-amine?
The InChIKey is ZGDOOCJTOUJTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-7-19-17(11-8-9-14(2)13-17)15(18-6)10-12-16(3,4)5/h14-15,18H,7-13H2,1-6H3.
What are the key properties of 1-(1-ethoxy-3-methylcyclohexyl)-N,4,4-trimethylpentan-1-amine?
1-(1-ethoxy-3-methylcyclohexyl)-N,4,4-trimethylpentan-1-amine has a molecular weight of 269.47 g/mol, XLogP of 4.39, 6 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,4,4-trimethylpentan-1-amine is sourced from PubChem (CID 116768244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).