1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxy-N-methylbutan-1-amine

C16H33NO2 — CID 114857241

IUPAC1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxy-N-methylbutan-1-amine
SMILESCCOC1(C(CCCOC)NC)CCC(C)(C)CC1
InChIInChI=1S/C16H33NO2/c1-6-19-16(11-9-15(2,3)10-12-16)14(17-4)8-7-13-18-5/h14,17H,6-13H2,1-5H3
InChIKeyXVHVRPABHFPMCZ-UHFFFAOYSA-N
MW271.44 g/mol
LogP3.38
Rot. Bonds8

About 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxy-N-methylbutan-1-amine

1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxy-N-methylbutan-1-amine (PubChem CID 114857241) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxy-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxy-N-methylbutan-1-amine
PubChem CID114857241
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxy-N-methylbutan-1-amine
SMILESCCOC1(C(CCCOC)NC)CCC(C)(C)CC1
InChIInChI=1S/C16H33NO2/c1-6-19-16(11-9-15(2,3)10-12-16)14(17-4)8-7-13-18-5/h14,17H,6-13H2,1-5H3
InChIKeyXVHVRPABHFPMCZ-UHFFFAOYSA-N
XLogP3.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxybutan-1-ol
CID 114855143
1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxybutan-1-amine
CID 114857240
4-methoxy-N-methyl-1-(1-methylcyclopropyl)butan-1-amine
CID 114856609
1-(4-ethoxyoxan-4-yl)-N-methylpentan-1-amine
CID 116765698
1-(1-ethoxycyclopentyl)-N-methyldecan-1-amine
CID 116761887
2-cyclohexyl-1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methylethanamine
CID 116768788
1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxy-2-methylbutan-1-ol
CID 116755485
1-(4-ethoxyoxan-4-yl)-N-methylheptan-1-amine
CID 116765630
1-(1-ethoxy-4-methylcyclohexyl)-N,4-dimethylpentan-1-amine
CID 116767108
1-(1-ethoxycyclopentyl)-4-ethylsulfonyl-N-methylbutan-1-amine
CID 116761963
1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 116768734
1-(4-ethoxyoxan-4-yl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 116765669

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxy-N-methylbutan-1-amine?
The IUPAC name of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxy-N-methylbutan-1-amine (CID 114857241) is 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxy-N-methylbutan-1-amine.
What is the SMILES notation for 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxy-N-methylbutan-1-amine?
The canonical SMILES for 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxy-N-methylbutan-1-amine is CCOC1(C(CCCOC)NC)CCC(C)(C)CC1.
What is the InChIKey of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxy-N-methylbutan-1-amine?
The InChIKey is XVHVRPABHFPMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-6-19-16(11-9-15(2,3)10-12-16)14(17-4)8-7-13-18-5/h14,17H,6-13H2,1-5H3.
What are the key properties of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxy-N-methylbutan-1-amine?
1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxy-N-methylbutan-1-amine has a molecular weight of 271.44 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxy-N-methylbutan-1-amine is sourced from PubChem (CID 114857241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).