1-[(2,2-dimethoxyethylamino)methyl]-3-methylcyclohexan-1-ol

C12H25NO3 — CID 65117297

IUPAC1-[(2,2-dimethoxyethylamino)methyl]-3-methylcyclohexan-1-ol
SMILESCOC(CNCC1(O)CCCC(C)C1)OC
InChIInChI=1S/C12H25NO3/c1-10-5-4-6-12(14,7-10)9-13-8-11(15-2)16-3/h10-11,13-14H,4-9H2,1-3H3
InChIKeyYMBLGONBXGRJTJ-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.14
Rot. Bonds6

About 1-[(2,2-dimethoxyethylamino)methyl]-3-methylcyclohexan-1-ol

1-[(2,2-dimethoxyethylamino)methyl]-3-methylcyclohexan-1-ol (PubChem CID 65117297) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[(2,2-dimethoxyethylamino)methyl]-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2,2-dimethoxyethylamino)methyl]-3-methylcyclohexan-1-ol
PubChem CID65117297
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name1-[(2,2-dimethoxyethylamino)methyl]-3-methylcyclohexan-1-ol
SMILESCOC(CNCC1(O)CCCC(C)C1)OC
InChIInChI=1S/C12H25NO3/c1-10-5-4-6-12(14,7-10)9-13-8-11(15-2)16-3/h10-11,13-14H,4-9H2,1-3H3
InChIKeyYMBLGONBXGRJTJ-UHFFFAOYSA-N
XLogP1.14
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[[(3-methoxy-2-methylpropyl)amino]methyl]-3-methylcyclohexan-1-ol
CID 116501341
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
1-[[[2-(furan-2-yl)-2-hydroxyethyl]amino]methyl]-3-methylcyclohexan-1-ol
CID 65120971
3-methyl-1-[[(3-methyl-2-phenylbutyl)amino]methyl]cyclohexan-1-ol
CID 107876213
2-[[(1S,3R)-1-hydroxy-3-methylcyclohexyl]methylamino]-N-methylacetamide
CID 96936567
3-methyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol
CID 65121175
1-[(5-hydroxypentylamino)methyl]-3-methylcyclohexan-1-ol
CID 65120868
1-[(decylamino)methyl]-3-methylcyclohexan-1-ol
CID 65120821
1-[[(2-methoxycyclohexyl)amino]methyl]-3-methylcyclohexan-1-ol
CID 65117161
2-[(1-hydroxy-3-methylcyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide
CID 65120934
1-(azepan-1-yl)-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethanone
CID 65120584

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-dimethoxyethylamino)methyl]-3-methylcyclohexan-1-ol?
The IUPAC name of 1-[(2,2-dimethoxyethylamino)methyl]-3-methylcyclohexan-1-ol (CID 65117297) is 1-[(2,2-dimethoxyethylamino)methyl]-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[(2,2-dimethoxyethylamino)methyl]-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-[(2,2-dimethoxyethylamino)methyl]-3-methylcyclohexan-1-ol is COC(CNCC1(O)CCCC(C)C1)OC.
What is the InChIKey of 1-[(2,2-dimethoxyethylamino)methyl]-3-methylcyclohexan-1-ol?
The InChIKey is YMBLGONBXGRJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-10-5-4-6-12(14,7-10)9-13-8-11(15-2)16-3/h10-11,13-14H,4-9H2,1-3H3.
What are the key properties of 1-[(2,2-dimethoxyethylamino)methyl]-3-methylcyclohexan-1-ol?
1-[(2,2-dimethoxyethylamino)methyl]-3-methylcyclohexan-1-ol has a molecular weight of 231.34 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-dimethoxyethylamino)methyl]-3-methylcyclohexan-1-ol is sourced from PubChem (CID 65117297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).