2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclohexan-1-ol

C12H25NO2 — CID 65049574

IUPAC2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclohexan-1-ol
SMILESCOCC(NC1CCCCC1O)C(C)C
InChIInChI=1S/C12H25NO2/c1-9(2)11(8-15-3)13-10-6-4-5-7-12(10)14/h9-14H,4-8H2,1-3H3
InChIKeyZOTWFXJMTPVCHK-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.55
Rot. Bonds5

About 2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclohexan-1-ol

2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclohexan-1-ol (PubChem CID 65049574) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclohexan-1-ol
PubChem CID65049574
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclohexan-1-ol
SMILESCOCC(NC1CCCCC1O)C(C)C
InChIInChI=1S/C12H25NO2/c1-9(2)11(8-15-3)13-10-6-4-5-7-12(10)14/h9-14H,4-8H2,1-3H3
InChIKeyZOTWFXJMTPVCHK-UHFFFAOYSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclohexan-1-ol with MolForge

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Related Compounds

N-(1-methoxy-3-methylbutan-2-yl)-2-propan-2-ylcyclohexan-1-amine
CID 81344120
2-(1-methoxypropan-2-ylamino)cyclopentan-1-ol
CID 60713672
2-[(1-methoxy-3-methylbutan-2-yl)amino]cycloheptane-1-carbonitrile
CID 65049555
trans-(1S,2S)-2-[(1-hydroxy-4-methylpentan-3-yl)amino]cyclopentan-1-ol
CID 106349423
2-[(2-hydroxycyclohexyl)amino]-3-methoxypropanoic acid
CID 103249834
(2R)-2-(propan-2-ylamino)cycloheptan-1-ol
CID 166814951
trans-(1R,2R)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]cyclopentan-1-ol
CID 106159498
2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-N-(2-methoxyethyl)propanamide
CID 102731613
trans-(1R,2R)-2-(3-methylbutan-2-ylamino)cycloheptan-1-ol
CID 130690757
cis-(1R,2S)-2-[[(2S,3S)-3-methylpentan-2-yl]amino]cyclohexan-1-ol
CID 124709342
2-(3,3-dimethylbutan-2-ylamino)cyclohexan-1-ol
CID 104828064
trans-(1R,2R)-2-[[(2S)-butan-2-yl]amino]cyclohexan-1-ol
CID 124679613

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclohexan-1-ol?
The IUPAC name of 2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclohexan-1-ol (CID 65049574) is 2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclohexan-1-ol is COCC(NC1CCCCC1O)C(C)C.
What is the InChIKey of 2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclohexan-1-ol?
The InChIKey is ZOTWFXJMTPVCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-9(2)11(8-15-3)13-10-6-4-5-7-12(10)14/h9-14H,4-8H2,1-3H3.
What are the key properties of 2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclohexan-1-ol?
2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclohexan-1-ol has a molecular weight of 215.34 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 65049574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).