1-(1-methoxy-3-methylcyclohexyl)-4-(oxolan-2-yl)butan-1-amine

C16H31NO2 — CID 116767606

IUPAC1-(1-methoxy-3-methylcyclohexyl)-4-(oxolan-2-yl)butan-1-amine
SMILESCOC1(C(N)CCCC2CCCO2)CCCC(C)C1
InChIInChI=1S/C16H31NO2/c1-13-6-4-10-16(12-13,18-2)15(17)9-3-7-14-8-5-11-19-14/h13-15H,3-12,17H2,1-2H3
InChIKeyJNPQSSAFSABJCX-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.26
Rot. Bonds6

About 1-(1-methoxy-3-methylcyclohexyl)-4-(oxolan-2-yl)butan-1-amine

1-(1-methoxy-3-methylcyclohexyl)-4-(oxolan-2-yl)butan-1-amine (PubChem CID 116767606) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-(1-methoxy-3-methylcyclohexyl)-4-(oxolan-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-(1-methoxy-3-methylcyclohexyl)-4-(oxolan-2-yl)butan-1-amine
PubChem CID116767606
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name1-(1-methoxy-3-methylcyclohexyl)-4-(oxolan-2-yl)butan-1-amine
SMILESCOC1(C(N)CCCC2CCCO2)CCCC(C)C1
InChIInChI=1S/C16H31NO2/c1-13-6-4-10-16(12-13,18-2)15(17)9-3-7-14-8-5-11-19-14/h13-15H,3-12,17H2,1-2H3
InChIKeyJNPQSSAFSABJCX-UHFFFAOYSA-N
XLogP3.26
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methoxy-3-methylcyclohexyl)-4-(oxolan-2-yl)butan-1-ol
CID 116755036
1-(4-methoxyoxan-4-yl)-3-(oxolan-2-yl)propan-1-amine
CID 116764425
1-(1-methoxy-3-methylcyclohexyl)hex-5-yn-1-amine
CID 116767594
1-(2-methyloxan-2-yl)-4-(oxolan-2-yl)butan-1-amine
CID 80683820
1-(1-methoxy-3-methylcyclohexyl)-3-methylbut-3-en-1-amine
CID 116767522
2-(3,5-dimethylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 116767540
2-methoxy-6-(oxolan-2-yl)hexan-3-amine
CID 79617762
1-methoxy-7-(oxolan-2-yl)heptan-4-amine
CID 65164869
1-(1-ethoxy-3-methylcyclohexyl)-5-methoxypentan-1-amine
CID 112754280
4-methyl-7-(oxolan-2-yl)heptan-2-amine
CID 65164978
1-(1-methoxy-3-methylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103012543
1-(1-methoxy-3-methylcyclohexyl)-2-pyridin-4-ylethanamine
CID 116767493

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-3-methylcyclohexyl)-4-(oxolan-2-yl)butan-1-amine?
The IUPAC name of 1-(1-methoxy-3-methylcyclohexyl)-4-(oxolan-2-yl)butan-1-amine (CID 116767606) is 1-(1-methoxy-3-methylcyclohexyl)-4-(oxolan-2-yl)butan-1-amine.
What is the SMILES notation for 1-(1-methoxy-3-methylcyclohexyl)-4-(oxolan-2-yl)butan-1-amine?
The canonical SMILES for 1-(1-methoxy-3-methylcyclohexyl)-4-(oxolan-2-yl)butan-1-amine is COC1(C(N)CCCC2CCCO2)CCCC(C)C1.
What is the InChIKey of 1-(1-methoxy-3-methylcyclohexyl)-4-(oxolan-2-yl)butan-1-amine?
The InChIKey is JNPQSSAFSABJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-13-6-4-10-16(12-13,18-2)15(17)9-3-7-14-8-5-11-19-14/h13-15H,3-12,17H2,1-2H3.
What are the key properties of 1-(1-methoxy-3-methylcyclohexyl)-4-(oxolan-2-yl)butan-1-amine?
1-(1-methoxy-3-methylcyclohexyl)-4-(oxolan-2-yl)butan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-3-methylcyclohexyl)-4-(oxolan-2-yl)butan-1-amine is sourced from PubChem (CID 116767606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).