[4-[methyl(3-methylbut-2-enyl)amino]cyclohexyl]methanol

C13H25NO — CID 84591910

IUPAC[4-[methyl(3-methylbut-2-enyl)amino]cyclohexyl]methanol
SMILESCC(C)=CCN(C)C1CCC(CO)CC1
InChIInChI=1S/C13H25NO/c1-11(2)8-9-14(3)13-6-4-12(10-15)5-7-13/h8,12-13,15H,4-7,9-10H2,1-3H3
InChIKeyLEXWSUXJLNERRW-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.44
Rot. Bonds4

About [4-[methyl(3-methylbut-2-enyl)amino]cyclohexyl]methanol

[4-[methyl(3-methylbut-2-enyl)amino]cyclohexyl]methanol (PubChem CID 84591910) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is [4-[methyl(3-methylbut-2-enyl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[methyl(3-methylbut-2-enyl)amino]cyclohexyl]methanol
PubChem CID84591910
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name[4-[methyl(3-methylbut-2-enyl)amino]cyclohexyl]methanol
SMILESCC(C)=CCN(C)C1CCC(CO)CC1
InChIInChI=1S/C13H25NO/c1-11(2)8-9-14(3)13-6-4-12(10-15)5-7-13/h8,12-13,15H,4-7,9-10H2,1-3H3
InChIKeyLEXWSUXJLNERRW-UHFFFAOYSA-N
XLogP2.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[methyl(3-methylbut-2-enyl)amino]cyclohexyl]methanol?
The IUPAC name of [4-[methyl(3-methylbut-2-enyl)amino]cyclohexyl]methanol (CID 84591910) is [4-[methyl(3-methylbut-2-enyl)amino]cyclohexyl]methanol.
What is the SMILES notation for [4-[methyl(3-methylbut-2-enyl)amino]cyclohexyl]methanol?
The canonical SMILES for [4-[methyl(3-methylbut-2-enyl)amino]cyclohexyl]methanol is CC(C)=CCN(C)C1CCC(CO)CC1.
What is the InChIKey of [4-[methyl(3-methylbut-2-enyl)amino]cyclohexyl]methanol?
The InChIKey is LEXWSUXJLNERRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-11(2)8-9-14(3)13-6-4-12(10-15)5-7-13/h8,12-13,15H,4-7,9-10H2,1-3H3.
What are the key properties of [4-[methyl(3-methylbut-2-enyl)amino]cyclohexyl]methanol?
[4-[methyl(3-methylbut-2-enyl)amino]cyclohexyl]methanol has a molecular weight of 211.35 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[methyl(3-methylbut-2-enyl)amino]cyclohexyl]methanol is sourced from PubChem (CID 84591910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).