1-(1-ethoxy-4-methylcyclohexyl)-N,4-dimethylpentan-1-amine

C16H33NO — CID 116767108

IUPAC1-(1-ethoxy-4-methylcyclohexyl)-N,4-dimethylpentan-1-amine
SMILESCCOC1(C(CCC(C)C)NC)CCC(C)CC1
InChIInChI=1S/C16H33NO/c1-6-18-16(11-9-14(4)10-12-16)15(17-5)8-7-13(2)3/h13-15,17H,6-12H2,1-5H3
InChIKeyKQCWKYRMPPBPBY-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.00
Rot. Bonds7

About 1-(1-ethoxy-4-methylcyclohexyl)-N,4-dimethylpentan-1-amine

1-(1-ethoxy-4-methylcyclohexyl)-N,4-dimethylpentan-1-amine (PubChem CID 116767108) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 1-(1-ethoxy-4-methylcyclohexyl)-N,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(1-ethoxy-4-methylcyclohexyl)-N,4-dimethylpentan-1-amine
PubChem CID116767108
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name1-(1-ethoxy-4-methylcyclohexyl)-N,4-dimethylpentan-1-amine
SMILESCCOC1(C(CCC(C)C)NC)CCC(C)CC1
InChIInChI=1S/C16H33NO/c1-6-18-16(11-9-14(4)10-12-16)15(17-5)8-7-13(2)3/h13-15,17H,6-12H2,1-5H3
InChIKeyKQCWKYRMPPBPBY-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-1-(1-ethoxy-4-methylcyclohexyl)-N-methylethanamine
CID 116767121
1-(1-ethoxy-4-methylcyclohexyl)-N-ethyl-3-methylbutan-1-amine
CID 116767273
1-(1-ethoxy-4-methylcyclohexyl)-N,2-dimethylbutan-1-amine
CID 116767228
1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 116767242
1-(1-ethoxy-4-methylcyclohexyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 116767209
[1-(1-ethoxy-4-methylcyclohexyl)-3-methylpentyl]hydrazine
CID 105277364
1-(1-ethoxy-4-methylcyclohexyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 116767103
[1-(1-ethoxy-4-methylcyclohexyl)-4-ethylsulfonylbutyl]hydrazine
CID 105277264
1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-5-methylhexan-1-amine
CID 116768455
1-(4-ethoxyoxan-4-yl)-N-methylpentan-1-amine
CID 116765698
1-(1-ethoxycyclopentyl)-N-methyldecan-1-amine
CID 116761887
N-[cyclopropyl-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine
CID 116767361

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-4-methylcyclohexyl)-N,4-dimethylpentan-1-amine?
The IUPAC name of 1-(1-ethoxy-4-methylcyclohexyl)-N,4-dimethylpentan-1-amine (CID 116767108) is 1-(1-ethoxy-4-methylcyclohexyl)-N,4-dimethylpentan-1-amine.
What is the SMILES notation for 1-(1-ethoxy-4-methylcyclohexyl)-N,4-dimethylpentan-1-amine?
The canonical SMILES for 1-(1-ethoxy-4-methylcyclohexyl)-N,4-dimethylpentan-1-amine is CCOC1(C(CCC(C)C)NC)CCC(C)CC1.
What is the InChIKey of 1-(1-ethoxy-4-methylcyclohexyl)-N,4-dimethylpentan-1-amine?
The InChIKey is KQCWKYRMPPBPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-6-18-16(11-9-14(4)10-12-16)15(17-5)8-7-13(2)3/h13-15,17H,6-12H2,1-5H3.
What are the key properties of 1-(1-ethoxy-4-methylcyclohexyl)-N,4-dimethylpentan-1-amine?
1-(1-ethoxy-4-methylcyclohexyl)-N,4-dimethylpentan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 4.00, 7 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,4-dimethylpentan-1-amine is sourced from PubChem (CID 116767108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).