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

C14H29NO2 — CID 106249580

IUPAC4-methoxy-2-methyl-1-[(4-methylcycloheptyl)amino]butan-2-ol
SMILESCOCCC(C)(O)CNC1CCCC(C)CC1
InChIInChI=1S/C14H29NO2/c1-12-5-4-6-13(8-7-12)15-11-14(2,16)9-10-17-3/h12-13,15-16H,4-11H2,1-3H3
InChIKeyOLXYQFQLJLPFOF-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.33
Rot. Bonds6

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

4-methoxy-2-methyl-1-[(4-methylcycloheptyl)amino]butan-2-ol (PubChem CID 106249580) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 4-methoxy-2-methyl-1-[(4-methylcycloheptyl)amino]butan-2-ol.

Molecular Properties

Compound Name4-methoxy-2-methyl-1-[(4-methylcycloheptyl)amino]butan-2-ol
PubChem CID106249580
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name4-methoxy-2-methyl-1-[(4-methylcycloheptyl)amino]butan-2-ol
SMILESCOCCC(C)(O)CNC1CCCC(C)CC1
InChIInChI=1S/C14H29NO2/c1-12-5-4-6-13(8-7-12)15-11-14(2,16)9-10-17-3/h12-13,15-16H,4-11H2,1-3H3
InChIKeyOLXYQFQLJLPFOF-UHFFFAOYSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2-methyl-1-[(3-methylcyclohexyl)amino]butan-2-ol
CID 103699567
4-methoxy-2-methyl-1-[(3-methylcyclopentyl)amino]butan-2-ol
CID 103699568
4-methoxy-2-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol
CID 102609647
1-[(1,1-dioxothian-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106249315
N-(2-methoxyethyl)-4-methylcycloheptan-1-amine
CID 65081207
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
4-methoxy-2-methyl-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]butan-2-ol
CID 103784160
4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]azepan-2-one
CID 106255434
1-(cyclopropylamino)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropan-2-ol
CID 104561121
N-[3-(2-methoxyethoxy)propyl]-4-methylcycloheptan-1-amine
CID 65081277
1-methoxy-3-[(4-methylcycloheptyl)amino]propan-2-ol
CID 65080146

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-1-[(4-methylcycloheptyl)amino]butan-2-ol?
The IUPAC name of 4-methoxy-2-methyl-1-[(4-methylcycloheptyl)amino]butan-2-ol (CID 106249580) is 4-methoxy-2-methyl-1-[(4-methylcycloheptyl)amino]butan-2-ol.
What is the SMILES notation for 4-methoxy-2-methyl-1-[(4-methylcycloheptyl)amino]butan-2-ol?
The canonical SMILES for 4-methoxy-2-methyl-1-[(4-methylcycloheptyl)amino]butan-2-ol is COCCC(C)(O)CNC1CCCC(C)CC1.
What is the InChIKey of 4-methoxy-2-methyl-1-[(4-methylcycloheptyl)amino]butan-2-ol?
The InChIKey is OLXYQFQLJLPFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-12-5-4-6-13(8-7-12)15-11-14(2,16)9-10-17-3/h12-13,15-16H,4-11H2,1-3H3.
What are the key properties of 4-methoxy-2-methyl-1-[(4-methylcycloheptyl)amino]butan-2-ol?
4-methoxy-2-methyl-1-[(4-methylcycloheptyl)amino]butan-2-ol has a molecular weight of 243.39 g/mol, XLogP of 2.33, 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-[(4-methylcycloheptyl)amino]butan-2-ol is sourced from PubChem (CID 106249580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).