1-cyclohexyl-1-ethoxy-3,5-dimethylhexan-2-amine

C16H33NO — CID 114284903

IUPAC1-cyclohexyl-1-ethoxy-3,5-dimethylhexan-2-amine
SMILESCCOC(C1CCCCC1)C(N)C(C)CC(C)C
InChIInChI=1S/C16H33NO/c1-5-18-16(14-9-7-6-8-10-14)15(17)13(4)11-12(2)3/h12-16H,5-11,17H2,1-4H3
InChIKeyVBUZTGYGGBPWLK-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.98
Rot. Bonds7

About 1-cyclohexyl-1-ethoxy-3,5-dimethylhexan-2-amine

1-cyclohexyl-1-ethoxy-3,5-dimethylhexan-2-amine (PubChem CID 114284903) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 1-cyclohexyl-1-ethoxy-3,5-dimethylhexan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-1-ethoxy-3,5-dimethylhexan-2-amine
PubChem CID114284903
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name1-cyclohexyl-1-ethoxy-3,5-dimethylhexan-2-amine
SMILESCCOC(C1CCCCC1)C(N)C(C)CC(C)C
InChIInChI=1S/C16H33NO/c1-5-18-16(14-9-7-6-8-10-14)15(17)13(4)11-12(2)3/h12-16H,5-11,17H2,1-4H3
InChIKeyVBUZTGYGGBPWLK-UHFFFAOYSA-N
XLogP3.98
TPSA35.25 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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-1-ethoxy-3-methylhexan-2-amine
CID 107896950
1-cyclohexyl-1-ethoxy-5-methylhexan-2-amine
CID 116771942
2-cyclohexyl-1-cyclopentyl-2-ethoxyethanol
CID 116756693
[(1S)-1-ethoxyethyl]cyclohexane
CID 59678198
1-cyclopropyl-1-ethoxy-3-ethylpentan-2-amine
CID 116723204
(1-cyclohexyl-3-cyclopentyl-1-ethoxypropan-2-yl)hydrazine
CID 105278814
(1-cyclohexyl-2-cyclopropyl-2-ethoxyethyl)hydrazine
CID 105273087
1-cycloheptyl-2-ethoxypropan-1-ol
CID 82931092
1,1-diethoxypropan-2-ylcyclohexane
CID 14745336
(1-cyclohexyl-1-ethoxy-5-methoxy-3-methylpentan-2-yl)hydrazine
CID 105278797
cyclopropane;diethoxymethanamine
CID 67531002
1-cyclohexyl-1-ethoxy-3-methyl-N-propylhexan-2-amine
CID 107896952

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-ethoxy-3,5-dimethylhexan-2-amine?
The IUPAC name of 1-cyclohexyl-1-ethoxy-3,5-dimethylhexan-2-amine (CID 114284903) is 1-cyclohexyl-1-ethoxy-3,5-dimethylhexan-2-amine.
What is the SMILES notation for 1-cyclohexyl-1-ethoxy-3,5-dimethylhexan-2-amine?
The canonical SMILES for 1-cyclohexyl-1-ethoxy-3,5-dimethylhexan-2-amine is CCOC(C1CCCCC1)C(N)C(C)CC(C)C.
What is the InChIKey of 1-cyclohexyl-1-ethoxy-3,5-dimethylhexan-2-amine?
The InChIKey is VBUZTGYGGBPWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-5-18-16(14-9-7-6-8-10-14)15(17)13(4)11-12(2)3/h12-16H,5-11,17H2,1-4H3.
What are the key properties of 1-cyclohexyl-1-ethoxy-3,5-dimethylhexan-2-amine?
1-cyclohexyl-1-ethoxy-3,5-dimethylhexan-2-amine has a molecular weight of 255.45 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-ethoxy-3,5-dimethylhexan-2-amine is sourced from PubChem (CID 114284903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).