1-(1-ethoxy-4-methylcyclohexyl)-N,2-dimethylbutan-1-amine

C15H31NO — CID 116767228

IUPAC1-(1-ethoxy-4-methylcyclohexyl)-N,2-dimethylbutan-1-amine
SMILESCCOC1(C(NC)C(C)CC)CCC(C)CC1
InChIInChI=1S/C15H31NO/c1-6-13(4)14(16-5)15(17-7-2)10-8-12(3)9-11-15/h12-14,16H,6-11H2,1-5H3
InChIKeyMRRYCVAYYBSDDL-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.61
Rot. Bonds6

About 1-(1-ethoxy-4-methylcyclohexyl)-N,2-dimethylbutan-1-amine

1-(1-ethoxy-4-methylcyclohexyl)-N,2-dimethylbutan-1-amine (PubChem CID 116767228) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-(1-ethoxy-4-methylcyclohexyl)-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(1-ethoxy-4-methylcyclohexyl)-N,2-dimethylbutan-1-amine
PubChem CID116767228
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name1-(1-ethoxy-4-methylcyclohexyl)-N,2-dimethylbutan-1-amine
SMILESCCOC1(C(NC)C(C)CC)CCC(C)CC1
InChIInChI=1S/C15H31NO/c1-6-13(4)14(16-5)15(17-7-2)10-8-12(3)9-11-15/h12-14,16H,6-11H2,1-5H3
InChIKeyMRRYCVAYYBSDDL-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-methoxy-4-methylcyclohexyl)-N,2-dimethylbutan-1-amine
CID 116766531
[1-(1-ethoxy-4-methylcyclohexyl)-2-methylpentyl]hydrazine
CID 107895373
1-(1-ethoxy-4-methylcyclohexyl)-N,4-dimethylpentan-1-amine
CID 116767108
2-ethoxy-1-(1-ethoxy-4-methylcyclohexyl)-N-methylethanamine
CID 116767121
[1-(1-ethoxy-4-methylcyclohexyl)-3-methylpentyl]hydrazine
CID 105277364
1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 116767242
1-(1-ethoxycyclopentyl)-N,2-dimethylpropan-1-amine
CID 116761985
1-(1-ethoxy-4-methylcyclohexyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 116767209
1-(1-ethoxy-4-methylcyclohexyl)-N-ethyl-3-methylbutan-1-amine
CID 116767273
1-(1-ethoxy-4-methylcyclohexyl)-2,2-dimethylpropan-1-ol
CID 116754852
N-[cyclopropyl-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine
CID 116767361
1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 116767194

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-4-methylcyclohexyl)-N,2-dimethylbutan-1-amine?
The IUPAC name of 1-(1-ethoxy-4-methylcyclohexyl)-N,2-dimethylbutan-1-amine (CID 116767228) is 1-(1-ethoxy-4-methylcyclohexyl)-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-(1-ethoxy-4-methylcyclohexyl)-N,2-dimethylbutan-1-amine?
The canonical SMILES for 1-(1-ethoxy-4-methylcyclohexyl)-N,2-dimethylbutan-1-amine is CCOC1(C(NC)C(C)CC)CCC(C)CC1.
What is the InChIKey of 1-(1-ethoxy-4-methylcyclohexyl)-N,2-dimethylbutan-1-amine?
The InChIKey is MRRYCVAYYBSDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-6-13(4)14(16-5)15(17-7-2)10-8-12(3)9-11-15/h12-14,16H,6-11H2,1-5H3.
What are the key properties of 1-(1-ethoxy-4-methylcyclohexyl)-N,2-dimethylbutan-1-amine?
1-(1-ethoxy-4-methylcyclohexyl)-N,2-dimethylbutan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-4-methylcyclohexyl)-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 116767228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).