1-[[(3-methoxy-2-methylpropyl)amino]methyl]-3-methylcyclohexan-1-ol

C13H27NO2 — CID 116501341

IUPAC1-[[(3-methoxy-2-methylpropyl)amino]methyl]-3-methylcyclohexan-1-ol
SMILESCOCC(C)CNCC1(O)CCCC(C)C1
InChIInChI=1S/C13H27NO2/c1-11-5-4-6-13(15,7-11)10-14-8-12(2)9-16-3/h11-12,14-15H,4-10H2,1-3H3
InChIKeyOKHXXTQFROEGQY-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.80
Rot. Bonds6

About 1-[[(3-methoxy-2-methylpropyl)amino]methyl]-3-methylcyclohexan-1-ol

1-[[(3-methoxy-2-methylpropyl)amino]methyl]-3-methylcyclohexan-1-ol (PubChem CID 116501341) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-[[(3-methoxy-2-methylpropyl)amino]methyl]-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(3-methoxy-2-methylpropyl)amino]methyl]-3-methylcyclohexan-1-ol
PubChem CID116501341
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name1-[[(3-methoxy-2-methylpropyl)amino]methyl]-3-methylcyclohexan-1-ol
SMILESCOCC(C)CNCC1(O)CCCC(C)C1
InChIInChI=1S/C13H27NO2/c1-11-5-4-6-13(15,7-11)10-14-8-12(2)9-16-3/h11-12,14-15H,4-10H2,1-3H3
InChIKeyOKHXXTQFROEGQY-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(3-methoxy-2-methylpropyl)amino]methyl]cyclopentan-1-ol
CID 65210997
1-[(2,2-dimethoxyethylamino)methyl]-3-methylcyclohexan-1-ol
CID 65117297
1-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]cycloheptan-1-ol
CID 65120782
1-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]-3-methylcyclohexan-1-ol
CID 103157916
2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methoxypropanamide
CID 81102329
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide
CID 65123962
3-methyl-1-[[(3-methyl-2-phenylbutyl)amino]methyl]cyclohexan-1-ol
CID 107876213
2-[(1-hydroxy-3-methylcyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide
CID 65120934
1-[[(2-hydroxy-3-methoxypropyl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65115828
1-[(1-aminopropan-2-ylamino)methyl]-3-methylcyclohexan-1-ol
CID 103390168
1-[(2-methoxyethylamino)methyl]-4-methylcycloheptan-1-ol
CID 65082682
1-[[[2-(furan-2-yl)-2-hydroxyethyl]amino]methyl]-3-methylcyclohexan-1-ol
CID 65120971

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-methoxy-2-methylpropyl)amino]methyl]-3-methylcyclohexan-1-ol?
The IUPAC name of 1-[[(3-methoxy-2-methylpropyl)amino]methyl]-3-methylcyclohexan-1-ol (CID 116501341) is 1-[[(3-methoxy-2-methylpropyl)amino]methyl]-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(3-methoxy-2-methylpropyl)amino]methyl]-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[(3-methoxy-2-methylpropyl)amino]methyl]-3-methylcyclohexan-1-ol is COCC(C)CNCC1(O)CCCC(C)C1.
What is the InChIKey of 1-[[(3-methoxy-2-methylpropyl)amino]methyl]-3-methylcyclohexan-1-ol?
The InChIKey is OKHXXTQFROEGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-11-5-4-6-13(15,7-11)10-14-8-12(2)9-16-3/h11-12,14-15H,4-10H2,1-3H3.
What are the key properties of 1-[[(3-methoxy-2-methylpropyl)amino]methyl]-3-methylcyclohexan-1-ol?
1-[[(3-methoxy-2-methylpropyl)amino]methyl]-3-methylcyclohexan-1-ol has a molecular weight of 229.36 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-methoxy-2-methylpropyl)amino]methyl]-3-methylcyclohexan-1-ol is sourced from PubChem (CID 116501341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).