4-methoxy-2-methyl-1-[(3-methylcyclohexyl)amino]butan-2-ol

C13H27NO2 — CID 103699567

IUPAC4-methoxy-2-methyl-1-[(3-methylcyclohexyl)amino]butan-2-ol
SMILESCOCCC(C)(O)CNC1CCCC(C)C1
InChIInChI=1S/C13H27NO2/c1-11-5-4-6-12(9-11)14-10-13(2,15)7-8-16-3/h11-12,14-15H,4-10H2,1-3H3
InChIKeyYAPDYYGZUVRLBR-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.94
Rot. Bonds6

About 4-methoxy-2-methyl-1-[(3-methylcyclohexyl)amino]butan-2-ol

4-methoxy-2-methyl-1-[(3-methylcyclohexyl)amino]butan-2-ol (PubChem CID 103699567) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 4-methoxy-2-methyl-1-[(3-methylcyclohexyl)amino]butan-2-ol.

Molecular Properties

Compound Name4-methoxy-2-methyl-1-[(3-methylcyclohexyl)amino]butan-2-ol
PubChem CID103699567
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name4-methoxy-2-methyl-1-[(3-methylcyclohexyl)amino]butan-2-ol
SMILESCOCCC(C)(O)CNC1CCCC(C)C1
InChIInChI=1S/C13H27NO2/c1-11-5-4-6-12(9-11)14-10-13(2,15)7-8-16-3/h11-12,14-15H,4-10H2,1-3H3
InChIKeyYAPDYYGZUVRLBR-UHFFFAOYSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2-methyl-1-[(3-methylcyclopentyl)amino]butan-2-ol
CID 103699568
4-methoxy-2-methyl-1-[(4-methylcycloheptyl)amino]butan-2-ol
CID 106249580
4-methoxy-2-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol
CID 102609647
2-methyl-1-[[(1R,3S)-3-methylcyclohexyl]amino]propan-2-ol
CID 93346375
1-[(1,1-dioxothian-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106249315
4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]azepan-2-one
CID 106255434
trans-(1R,2R)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]cyclohexan-1-ol
CID 106255147
1-(cyclohex-2-en-1-ylamino)-4-methoxy-2-methylbutan-2-ol
CID 106255210
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-methylcyclohexan-1-amine
CID 113426900
1-(2-adamantylamino)-4-methoxy-2-methylbutan-2-ol
CID 103784145
4-methoxy-2-methyl-1-[(2-methylthiolan-3-yl)amino]butan-2-ol
CID 102672202
4-methoxy-2-methyl-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]butan-2-ol
CID 103784160

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-1-[(3-methylcyclohexyl)amino]butan-2-ol?
The IUPAC name of 4-methoxy-2-methyl-1-[(3-methylcyclohexyl)amino]butan-2-ol (CID 103699567) is 4-methoxy-2-methyl-1-[(3-methylcyclohexyl)amino]butan-2-ol.
What is the SMILES notation for 4-methoxy-2-methyl-1-[(3-methylcyclohexyl)amino]butan-2-ol?
The canonical SMILES for 4-methoxy-2-methyl-1-[(3-methylcyclohexyl)amino]butan-2-ol is COCCC(C)(O)CNC1CCCC(C)C1.
What is the InChIKey of 4-methoxy-2-methyl-1-[(3-methylcyclohexyl)amino]butan-2-ol?
The InChIKey is YAPDYYGZUVRLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-11-5-4-6-12(9-11)14-10-13(2,15)7-8-16-3/h11-12,14-15H,4-10H2,1-3H3.
What are the key properties of 4-methoxy-2-methyl-1-[(3-methylcyclohexyl)amino]butan-2-ol?
4-methoxy-2-methyl-1-[(3-methylcyclohexyl)amino]butan-2-ol has a molecular weight of 229.36 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-1-[(3-methylcyclohexyl)amino]butan-2-ol is sourced from PubChem (CID 103699567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).