1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine

C16H31NO2 — CID 116768763

IUPAC1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine
SMILESCCOC1(C(NC)C2CCOC2)CCC(C)(C)CC1
InChIInChI=1S/C16H31NO2/c1-5-19-16(9-7-15(2,3)8-10-16)14(17-4)13-6-11-18-12-13/h13-14,17H,5-12H2,1-4H3
InChIKeyHYRUPVAWJUWTRS-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.99
Rot. Bonds5

About 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine

1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine (PubChem CID 116768763) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine
PubChem CID116768763
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine
SMILESCCOC1(C(NC)C2CCOC2)CCC(C)(C)CC1
InChIInChI=1S/C16H31NO2/c1-5-19-16(9-7-15(2,3)8-10-16)14(17-4)13-6-11-18-12-13/h13-14,17H,5-12H2,1-4H3
InChIKeyHYRUPVAWJUWTRS-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(oxan-3-yl)methanamine
CID 107136933
1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 116767242
N-[(1-ethoxy-4,4-dimethylcyclohexyl)-(oxan-4-yl)methyl]ethanamine
CID 116768886
1-cyclobutyl-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
CID 116765744
[(4-ethoxyoxan-4-yl)-(oxan-4-yl)methyl]hydrazine
CID 105276815
N-[(1-ethoxy-3-methylcyclohexyl)-(oxolan-3-yl)methyl]propan-1-amine
CID 116768503
2-cyclohexyl-1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methylethanamine
CID 116768788
N,N-dimethyl-1-[methylamino(oxolan-3-yl)methyl]cyclopentan-1-amine
CID 79069983
1-(1-methoxycyclopentyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 104610994
N-[cyclohexyl-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
CID 116768830
1-(1-ethoxycycloheptyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 116770863
1-(1-ethoxy-4-methylcyclohexyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 116767209

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine?
The IUPAC name of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine (CID 116768763) is 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine.
What is the SMILES notation for 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine?
The canonical SMILES for 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine is CCOC1(C(NC)C2CCOC2)CCC(C)(C)CC1.
What is the InChIKey of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine?
The InChIKey is HYRUPVAWJUWTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-5-19-16(9-7-15(2,3)8-10-16)14(17-4)13-6-11-18-12-13/h13-14,17H,5-12H2,1-4H3.
What are the key properties of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine?
1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine has a molecular weight of 269.43 g/mol, XLogP of 2.99, 5 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)-N-methyl-1-(oxolan-3-yl)methanamine is sourced from PubChem (CID 116768763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).