1-cyclohexyl-1-ethoxy-3-methylhexan-2-amine

C15H31NO — CID 107896950

IUPAC1-cyclohexyl-1-ethoxy-3-methylhexan-2-amine
SMILESCCCC(C)C(N)C(OCC)C1CCCCC1
InChIInChI=1S/C15H31NO/c1-4-9-12(3)14(16)15(17-5-2)13-10-7-6-8-11-13/h12-15H,4-11,16H2,1-3H3
InChIKeyYHEJRWMFVIJSJM-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.74
Rot. Bonds7

About 1-cyclohexyl-1-ethoxy-3-methylhexan-2-amine

1-cyclohexyl-1-ethoxy-3-methylhexan-2-amine (PubChem CID 107896950) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-cyclohexyl-1-ethoxy-3-methylhexan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-1-ethoxy-3-methylhexan-2-amine
PubChem CID107896950
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name1-cyclohexyl-1-ethoxy-3-methylhexan-2-amine
SMILESCCCC(C)C(N)C(OCC)C1CCCCC1
InChIInChI=1S/C15H31NO/c1-4-9-12(3)14(16)15(17-5-2)13-10-7-6-8-11-13/h12-15H,4-11,16H2,1-3H3
InChIKeyYHEJRWMFVIJSJM-UHFFFAOYSA-N
XLogP3.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-1-ethoxy-3,5-dimethylhexan-2-amine
CID 114284903
1-cyclohexyl-1-ethoxy-3-methyl-N-propylhexan-2-amine
CID 107896952
1-cyclohexyl-1-ethoxy-5-methylhexan-2-amine
CID 116771942
2-cyclohexyl-1-cyclopentyl-2-ethoxyethanol
CID 116756693
[(2R)-3-methylhexan-2-yl]cyclopentane
CID 163746154
[(1S)-1-ethoxyethyl]cyclohexane
CID 59678198
1-cyclopropyl-1-ethoxy-3-ethylpentan-2-amine
CID 116723204
(1-cyclohexyl-1-ethoxy-5-methoxy-3-methylpentan-2-yl)hydrazine
CID 105278797
(1-cyclohexyl-1-ethoxynonan-2-yl)hydrazine
CID 105278827
1-cyclooctyl-N,2-dimethylpentan-1-amine
CID 107893689
(1-cyclopentyl-2-methylpentyl)hydrazine
CID 105282461
(1-cyclohexyl-3-cyclopentyl-1-ethoxypropan-2-yl)hydrazine
CID 105278814

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-ethoxy-3-methylhexan-2-amine?
The IUPAC name of 1-cyclohexyl-1-ethoxy-3-methylhexan-2-amine (CID 107896950) is 1-cyclohexyl-1-ethoxy-3-methylhexan-2-amine.
What is the SMILES notation for 1-cyclohexyl-1-ethoxy-3-methylhexan-2-amine?
The canonical SMILES for 1-cyclohexyl-1-ethoxy-3-methylhexan-2-amine is CCCC(C)C(N)C(OCC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-ethoxy-3-methylhexan-2-amine?
The InChIKey is YHEJRWMFVIJSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-4-9-12(3)14(16)15(17-5-2)13-10-7-6-8-11-13/h12-15H,4-11,16H2,1-3H3.
What are the key properties of 1-cyclohexyl-1-ethoxy-3-methylhexan-2-amine?
1-cyclohexyl-1-ethoxy-3-methylhexan-2-amine has a molecular weight of 241.42 g/mol, XLogP of 3.74, 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-methylhexan-2-amine is sourced from PubChem (CID 107896950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).