2-[(3,5-dimethylcyclohexyl)amino]-2-methylpropan-1-ol

C12H25NO — CID 64724437

IUPAC2-[(3,5-dimethylcyclohexyl)amino]-2-methylpropan-1-ol
SMILESCC1CC(C)CC(NC(C)(C)CO)C1
InChIInChI=1S/C12H25NO/c1-9-5-10(2)7-11(6-9)13-12(3,4)8-14/h9-11,13-14H,5-8H2,1-4H3
InChIKeyJWCDPIOPHIJLRM-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.17
Rot. Bonds3

About 2-[(3,5-dimethylcyclohexyl)amino]-2-methylpropan-1-ol

2-[(3,5-dimethylcyclohexyl)amino]-2-methylpropan-1-ol (PubChem CID 64724437) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-[(3,5-dimethylcyclohexyl)amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(3,5-dimethylcyclohexyl)amino]-2-methylpropan-1-ol
PubChem CID64724437
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-[(3,5-dimethylcyclohexyl)amino]-2-methylpropan-1-ol
SMILESCC1CC(C)CC(NC(C)(C)CO)C1
InChIInChI=1S/C12H25NO/c1-9-5-10(2)7-11(6-9)13-12(3,4)8-14/h9-11,13-14H,5-8H2,1-4H3
InChIKeyJWCDPIOPHIJLRM-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylcyclohexyl)amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[(3,5-dimethylcyclohexyl)amino]-2-methylpropan-1-ol (CID 64724437) is 2-[(3,5-dimethylcyclohexyl)amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(3,5-dimethylcyclohexyl)amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(3,5-dimethylcyclohexyl)amino]-2-methylpropan-1-ol is CC1CC(C)CC(NC(C)(C)CO)C1.
What is the InChIKey of 2-[(3,5-dimethylcyclohexyl)amino]-2-methylpropan-1-ol?
The InChIKey is JWCDPIOPHIJLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-9-5-10(2)7-11(6-9)13-12(3,4)8-14/h9-11,13-14H,5-8H2,1-4H3.
What are the key properties of 2-[(3,5-dimethylcyclohexyl)amino]-2-methylpropan-1-ol?
2-[(3,5-dimethylcyclohexyl)amino]-2-methylpropan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylcyclohexyl)amino]-2-methylpropan-1-ol is sourced from PubChem (CID 64724437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).