1-[[(2,2-dimethyloxan-4-yl)amino]methyl]-4-methylcyclohexan-1-ol

C15H29NO2 — CID 65118095

IUPAC1-[[(2,2-dimethyloxan-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNC2CCOC(C)(C)C2)CC1
InChIInChI=1S/C15H29NO2/c1-12-4-7-15(17,8-5-12)11-16-13-6-9-18-14(2,3)10-13/h12-13,16-17H,4-11H2,1-3H3
InChIKeyHVXOVQDOPQCVIX-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.47
Rot. Bonds3

About 1-[[(2,2-dimethyloxan-4-yl)amino]methyl]-4-methylcyclohexan-1-ol

1-[[(2,2-dimethyloxan-4-yl)amino]methyl]-4-methylcyclohexan-1-ol (PubChem CID 65118095) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 1-[[(2,2-dimethyloxan-4-yl)amino]methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(2,2-dimethyloxan-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
PubChem CID65118095
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name1-[[(2,2-dimethyloxan-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNC2CCOC(C)(C)C2)CC1
InChIInChI=1S/C15H29NO2/c1-12-4-7-15(17,8-5-12)11-16-13-6-9-18-14(2,3)10-13/h12-13,16-17H,4-11H2,1-3H3
InChIKeyHVXOVQDOPQCVIX-UHFFFAOYSA-N
XLogP2.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2,2-dimethyloxan-4-yl)amino]methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[[(2,2-dimethyloxan-4-yl)amino]methyl]-4-methylcyclohexan-1-ol (CID 65118095) is 1-[[(2,2-dimethyloxan-4-yl)amino]methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(2,2-dimethyloxan-4-yl)amino]methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[(2,2-dimethyloxan-4-yl)amino]methyl]-4-methylcyclohexan-1-ol is CC1CCC(O)(CNC2CCOC(C)(C)C2)CC1.
What is the InChIKey of 1-[[(2,2-dimethyloxan-4-yl)amino]methyl]-4-methylcyclohexan-1-ol?
The InChIKey is HVXOVQDOPQCVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-12-4-7-15(17,8-5-12)11-16-13-6-9-18-14(2,3)10-13/h12-13,16-17H,4-11H2,1-3H3.
What are the key properties of 1-[[(2,2-dimethyloxan-4-yl)amino]methyl]-4-methylcyclohexan-1-ol?
1-[[(2,2-dimethyloxan-4-yl)amino]methyl]-4-methylcyclohexan-1-ol has a molecular weight of 255.40 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2,2-dimethyloxan-4-yl)amino]methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 65118095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).