2-[4-methoxybutan-2-yl(methyl)amino]cyclohexan-1-ol

C12H25NO2 — CID 102636514

IUPAC2-[4-methoxybutan-2-yl(methyl)amino]cyclohexan-1-ol
SMILESCOCCC(C)N(C)C1CCCCC1O
InChIInChI=1S/C12H25NO2/c1-10(8-9-15-3)13(2)11-6-4-5-7-12(11)14/h10-12,14H,4-9H2,1-3H3
InChIKeyPQVBYDRQIXJOAX-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.65
Rot. Bonds5

About 2-[4-methoxybutan-2-yl(methyl)amino]cyclohexan-1-ol

2-[4-methoxybutan-2-yl(methyl)amino]cyclohexan-1-ol (PubChem CID 102636514) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-[4-methoxybutan-2-yl(methyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[4-methoxybutan-2-yl(methyl)amino]cyclohexan-1-ol
PubChem CID102636514
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-[4-methoxybutan-2-yl(methyl)amino]cyclohexan-1-ol
SMILESCOCCC(C)N(C)C1CCCCC1O
InChIInChI=1S/C12H25NO2/c1-10(8-9-15-3)13(2)11-6-4-5-7-12(11)14/h10-12,14H,4-9H2,1-3H3
InChIKeyPQVBYDRQIXJOAX-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-[methyl(pentan-2-yl)amino]cyclohexan-1-ol
CID 102731911
trans-(1S,2S)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]cyclopentan-1-ol
CID 102734969
trans-(1R,2R)-2-[2-methoxyethyl(methyl)amino]cyclohexan-1-ol
CID 104954570
3-[[(1S,2S)-2-hydroxycyclohexyl]-methylamino]butanenitrile
CID 102732133
3-[[(1R,2R)-2-hydroxycyclohexyl]-methylamino]butanenitrile
CID 104954562
2-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]-4-methoxybutanoic acid
CID 102633263
trans-(1S,2S)-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]cyclohexan-1-ol
CID 102732198
trans-(1S,2S)-2-[methyl(propan-2-yl)amino]cyclopentan-1-ol
CID 93346502
2-[2-methoxyethyl(propan-2-yl)amino]cyclopentan-1-ol
CID 82960183
3-[(2-hydroxycyclopentyl)-methylamino]butanenitrile
CID 63223531
N-butyl-2-[(2-hydroxycyclohexyl)-methylamino]propanamide
CID 102636333
trans-(1R,2R)-2-[3-methoxypropyl(methyl)amino]cyclopentan-1-ol
CID 102734703

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxybutan-2-yl(methyl)amino]cyclohexan-1-ol?
The IUPAC name of 2-[4-methoxybutan-2-yl(methyl)amino]cyclohexan-1-ol (CID 102636514) is 2-[4-methoxybutan-2-yl(methyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[4-methoxybutan-2-yl(methyl)amino]cyclohexan-1-ol?
The canonical SMILES for 2-[4-methoxybutan-2-yl(methyl)amino]cyclohexan-1-ol is COCCC(C)N(C)C1CCCCC1O.
What is the InChIKey of 2-[4-methoxybutan-2-yl(methyl)amino]cyclohexan-1-ol?
The InChIKey is PQVBYDRQIXJOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-10(8-9-15-3)13(2)11-6-4-5-7-12(11)14/h10-12,14H,4-9H2,1-3H3.
What are the key properties of 2-[4-methoxybutan-2-yl(methyl)amino]cyclohexan-1-ol?
2-[4-methoxybutan-2-yl(methyl)amino]cyclohexan-1-ol has a molecular weight of 215.34 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxybutan-2-yl(methyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 102636514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).