2-[cyclohexyl(propan-2-yloxy)methyl]-1,2,3,4-tetrahydropyridine

C15H27NO — CID 129055712

IUPAC2-[cyclohexyl(propan-2-yloxy)methyl]-1,2,3,4-tetrahydropyridine
SMILESCC(C)OC(C1CCCCC1)C1CCC=CN1
InChIInChI=1S/C15H27NO/c1-12(2)17-15(13-8-4-3-5-9-13)14-10-6-7-11-16-14/h7,11-16H,3-6,8-10H2,1-2H3
InChIKeyVGBHINMFXVWONA-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.63
Rot. Bonds4

About 2-[cyclohexyl(propan-2-yloxy)methyl]-1,2,3,4-tetrahydropyridine

2-[cyclohexyl(propan-2-yloxy)methyl]-1,2,3,4-tetrahydropyridine (PubChem CID 129055712) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-[cyclohexyl(propan-2-yloxy)methyl]-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name2-[cyclohexyl(propan-2-yloxy)methyl]-1,2,3,4-tetrahydropyridine
PubChem CID129055712
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name2-[cyclohexyl(propan-2-yloxy)methyl]-1,2,3,4-tetrahydropyridine
SMILESCC(C)OC(C1CCCCC1)C1CCC=CN1
InChIInChI=1S/C15H27NO/c1-12(2)17-15(13-8-4-3-5-9-13)14-10-6-7-11-16-14/h7,11-16H,3-6,8-10H2,1-2H3
InChIKeyVGBHINMFXVWONA-UHFFFAOYSA-N
XLogP3.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2,5-trimethyl-6-prop-2-enyloxan-3-amine
CID 123611757
(4R,5R)-7-ethyl-5-methoxy-N-methylnon-8-en-4-amine
CID 126687218
[Cyclohexyl(1,2,3,4-tetrahydropyridin-2-yl)methyl] 2-methylpropanoate
CID 130359242
4-[(4-Tert-butylcyclohexyl)methyl]-2-ethyl-3-methoxy-1,2,3,4-tetrahydropyridine
CID 141868032
2-[(1R)-1-(5-methylhexan-2-yloxy)ethyl]-1,2,3,4-tetrahydropyridine
CID 156395324
(E)-N-(4-cyclohexyl-3-methoxybutan-2-yl)pent-1-en-1-amine
CID 169607559
N-methyl-1-(2-methyloxan-2-yl)hex-5-en-1-amine
CID 80683843
N-methyl-1-(3-methyloxolan-2-yl)hex-5-en-1-amine
CID 104986835
N-methyl-1-(3-methyloxolan-2-yl)pent-4-en-1-amine
CID 104987437
1-(cyclohexen-1-yl)-2-cyclohexyl-2-ethoxy-N-methylethanamine
CID 106654711
N-methyl-1-(2-methyloxan-2-yl)oct-7-en-1-amine
CID 107009530
3-methoxy-N,2-dimethylundec-10-en-4-amine
CID 107009694

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(propan-2-yloxy)methyl]-1,2,3,4-tetrahydropyridine?
The IUPAC name of 2-[cyclohexyl(propan-2-yloxy)methyl]-1,2,3,4-tetrahydropyridine (CID 129055712) is 2-[cyclohexyl(propan-2-yloxy)methyl]-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 2-[cyclohexyl(propan-2-yloxy)methyl]-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 2-[cyclohexyl(propan-2-yloxy)methyl]-1,2,3,4-tetrahydropyridine is CC(C)OC(C1CCCCC1)C1CCC=CN1.
What is the InChIKey of 2-[cyclohexyl(propan-2-yloxy)methyl]-1,2,3,4-tetrahydropyridine?
The InChIKey is VGBHINMFXVWONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-12(2)17-15(13-8-4-3-5-9-13)14-10-6-7-11-16-14/h7,11-16H,3-6,8-10H2,1-2H3.
What are the key properties of 2-[cyclohexyl(propan-2-yloxy)methyl]-1,2,3,4-tetrahydropyridine?
2-[cyclohexyl(propan-2-yloxy)methyl]-1,2,3,4-tetrahydropyridine has a molecular weight of 237.39 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(propan-2-yloxy)methyl]-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 129055712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).