1-[[(2-hydroxy-3-methoxypropyl)amino]methyl]-4-methylcyclohexan-1-ol

C12H25NO3 — CID 65115828

IUPAC1-[[(2-hydroxy-3-methoxypropyl)amino]methyl]-4-methylcyclohexan-1-ol
SMILESCOCC(O)CNCC1(O)CCC(C)CC1
InChIInChI=1S/C12H25NO3/c1-10-3-5-12(15,6-4-10)9-13-7-11(14)8-16-2/h10-11,13-15H,3-9H2,1-2H3
InChIKeyLOBNIGJXEHYVDE-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.52
Rot. Bonds6

About 1-[[(2-hydroxy-3-methoxypropyl)amino]methyl]-4-methylcyclohexan-1-ol

1-[[(2-hydroxy-3-methoxypropyl)amino]methyl]-4-methylcyclohexan-1-ol (PubChem CID 65115828) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[[(2-hydroxy-3-methoxypropyl)amino]methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(2-hydroxy-3-methoxypropyl)amino]methyl]-4-methylcyclohexan-1-ol
PubChem CID65115828
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name1-[[(2-hydroxy-3-methoxypropyl)amino]methyl]-4-methylcyclohexan-1-ol
SMILESCOCC(O)CNCC1(O)CCC(C)CC1
InChIInChI=1S/C12H25NO3/c1-10-3-5-12(15,6-4-10)9-13-7-11(14)8-16-2/h10-11,13-15H,3-9H2,1-2H3
InChIKeyLOBNIGJXEHYVDE-UHFFFAOYSA-N
XLogP0.52
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[[(2-hydroxy-3-methoxypropyl)amino]methyl]-4-methylcyclohexan-1-ol with MolForge

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Related Compounds

1-[(2-methoxyethylamino)methyl]-4-methylcyclohexan-1-ol
CID 62773369
1-[[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]methyl]cyclopentan-1-ol
CID 106990051
1-[(2-methoxyethylamino)methyl]-4-methylcycloheptan-1-ol
CID 65082682
1-[[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]methyl]-4-methylcyclohexan-1-ol
CID 65115912
1-(ethylaminomethyl)-4-methylcyclohexan-1-ol
CID 21302977
3-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methylpropanamide
CID 65116289
1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cyclopentan-1-ol
CID 65109325
1-[[(3-methoxy-2-methylpropyl)amino]methyl]-3-methylcyclohexan-1-ol
CID 116501341
4-methyl-1-(propylaminomethyl)cyclohexan-1-ol
CID 62775285
1-[[(3-methoxy-2-methylpropyl)amino]methyl]cyclopentan-1-ol
CID 65210997
1-[[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]methyl]cycloheptan-1-ol
CID 65122363
1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cycloheptan-1-ol
CID 65122217

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-hydroxy-3-methoxypropyl)amino]methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[[(2-hydroxy-3-methoxypropyl)amino]methyl]-4-methylcyclohexan-1-ol (CID 65115828) is 1-[[(2-hydroxy-3-methoxypropyl)amino]methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(2-hydroxy-3-methoxypropyl)amino]methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[(2-hydroxy-3-methoxypropyl)amino]methyl]-4-methylcyclohexan-1-ol is COCC(O)CNCC1(O)CCC(C)CC1.
What is the InChIKey of 1-[[(2-hydroxy-3-methoxypropyl)amino]methyl]-4-methylcyclohexan-1-ol?
The InChIKey is LOBNIGJXEHYVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-10-3-5-12(15,6-4-10)9-13-7-11(14)8-16-2/h10-11,13-15H,3-9H2,1-2H3.
What are the key properties of 1-[[(2-hydroxy-3-methoxypropyl)amino]methyl]-4-methylcyclohexan-1-ol?
1-[[(2-hydroxy-3-methoxypropyl)amino]methyl]-4-methylcyclohexan-1-ol has a molecular weight of 231.34 g/mol, XLogP of 0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-hydroxy-3-methoxypropyl)amino]methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 65115828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).