3-[3-methoxypropyl(methyl)amino]-4-methylcyclohexan-1-ol

C12H25NO2 — CID 165498234

IUPAC3-[3-methoxypropyl(methyl)amino]-4-methylcyclohexan-1-ol
SMILESCOCCCN(C)C1CC(O)CCC1C
InChIInChI=1S/C12H25NO2/c1-10-5-6-11(14)9-12(10)13(2)7-4-8-15-3/h10-12,14H,4-9H2,1-3H3
InChIKeyJMDNGSSIEYDFRH-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.50
Rot. Bonds5

About 3-[3-methoxypropyl(methyl)amino]-4-methylcyclohexan-1-ol

3-[3-methoxypropyl(methyl)amino]-4-methylcyclohexan-1-ol (PubChem CID 165498234) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-[3-methoxypropyl(methyl)amino]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name3-[3-methoxypropyl(methyl)amino]-4-methylcyclohexan-1-ol
PubChem CID165498234
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-[3-methoxypropyl(methyl)amino]-4-methylcyclohexan-1-ol
SMILESCOCCCN(C)C1CC(O)CCC1C
InChIInChI=1S/C12H25NO2/c1-10-5-6-11(14)9-12(10)13(2)7-4-8-15-3/h10-12,14H,4-9H2,1-3H3
InChIKeyJMDNGSSIEYDFRH-UHFFFAOYSA-N
XLogP1.50
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-cyclopropylpropyl(methyl)amino]-4-methylcyclohexan-1-ol
CID 165498249
2-[3-methoxypropyl(methyl)amino]-4-methylcyclohexan-1-ol
CID 63009155
trans-(1R,2R)-2-[3-methoxypropyl(methyl)amino]cyclopentan-1-ol
CID 102734703
4-tert-butyl-3-[2-methoxyethyl(methyl)amino]cyclohexan-1-ol
CID 165498695
4-methyl-3-[methyl(2-methylpropyl)amino]cyclohexan-1-ol
CID 165490848
3-[2-methoxyethyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165496233
3-[2-methoxyethyl(3-methoxypropyl)amino]cyclopentan-1-ol
CID 79642542
3-[3-ethoxypropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol
CID 165490881
2-(aminomethyl)-N-(3-methoxypropyl)-N-methylcyclobutan-1-amine
CID 80997660
3-[2-ethoxyethyl(ethyl)amino]-4-methylcyclohexan-1-ol
CID 165498158
3-[butyl(methyl)amino]-4-ethylcyclohexan-1-ol
CID 165497432
2-N-(3-methoxypropyl)-2-N-methylcyclododecane-1,2-diamine
CID 63468227

Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxypropyl(methyl)amino]-4-methylcyclohexan-1-ol?
The IUPAC name of 3-[3-methoxypropyl(methyl)amino]-4-methylcyclohexan-1-ol (CID 165498234) is 3-[3-methoxypropyl(methyl)amino]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 3-[3-methoxypropyl(methyl)amino]-4-methylcyclohexan-1-ol?
The canonical SMILES for 3-[3-methoxypropyl(methyl)amino]-4-methylcyclohexan-1-ol is COCCCN(C)C1CC(O)CCC1C.
What is the InChIKey of 3-[3-methoxypropyl(methyl)amino]-4-methylcyclohexan-1-ol?
The InChIKey is JMDNGSSIEYDFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-10-5-6-11(14)9-12(10)13(2)7-4-8-15-3/h10-12,14H,4-9H2,1-3H3.
What are the key properties of 3-[3-methoxypropyl(methyl)amino]-4-methylcyclohexan-1-ol?
3-[3-methoxypropyl(methyl)amino]-4-methylcyclohexan-1-ol has a molecular weight of 215.34 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxypropyl(methyl)amino]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 165498234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).