3-methyl-2-[5-methyl-2-(methylamino)hex-5-enyl]cyclohexan-1-ol

C15H29NO — CID 123313522

IUPAC3-methyl-2-[5-methyl-2-(methylamino)hex-5-enyl]cyclohexan-1-ol
SMILESC=C(C)CCC(CC1C(C)CCCC1O)NC
InChIInChI=1S/C15H29NO/c1-11(2)8-9-13(16-4)10-14-12(3)6-5-7-15(14)17/h12-17H,1,5-10H2,2-4H3
InChIKeyXSSBAWPTIYBKFT-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.12
Rot. Bonds6

About 3-methyl-2-[5-methyl-2-(methylamino)hex-5-enyl]cyclohexan-1-ol

3-methyl-2-[5-methyl-2-(methylamino)hex-5-enyl]cyclohexan-1-ol (PubChem CID 123313522) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 3-methyl-2-[5-methyl-2-(methylamino)hex-5-enyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-methyl-2-[5-methyl-2-(methylamino)hex-5-enyl]cyclohexan-1-ol
PubChem CID123313522
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name3-methyl-2-[5-methyl-2-(methylamino)hex-5-enyl]cyclohexan-1-ol
SMILESC=C(C)CCC(CC1C(C)CCCC1O)NC
InChIInChI=1S/C15H29NO/c1-11(2)8-9-13(16-4)10-14-12(3)6-5-7-15(14)17/h12-17H,1,5-10H2,2-4H3
InChIKeyXSSBAWPTIYBKFT-UHFFFAOYSA-N
XLogP3.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.12
H-Bond Donors ≤ 52
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 3-methyl-2-[5-methyl-2-(methylamino)hex-5-enyl]cyclohexan-1-ol?
The IUPAC name of 3-methyl-2-[5-methyl-2-(methylamino)hex-5-enyl]cyclohexan-1-ol (CID 123313522) is 3-methyl-2-[5-methyl-2-(methylamino)hex-5-enyl]cyclohexan-1-ol.
What is the SMILES notation for 3-methyl-2-[5-methyl-2-(methylamino)hex-5-enyl]cyclohexan-1-ol?
The canonical SMILES for 3-methyl-2-[5-methyl-2-(methylamino)hex-5-enyl]cyclohexan-1-ol is C=C(C)CCC(CC1C(C)CCCC1O)NC.
What is the InChIKey of 3-methyl-2-[5-methyl-2-(methylamino)hex-5-enyl]cyclohexan-1-ol?
The InChIKey is XSSBAWPTIYBKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-11(2)8-9-13(16-4)10-14-12(3)6-5-7-15(14)17/h12-17H,1,5-10H2,2-4H3.
What are the key properties of 3-methyl-2-[5-methyl-2-(methylamino)hex-5-enyl]cyclohexan-1-ol?
3-methyl-2-[5-methyl-2-(methylamino)hex-5-enyl]cyclohexan-1-ol has a molecular weight of 239.40 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[5-methyl-2-(methylamino)hex-5-enyl]cyclohexan-1-ol is sourced from PubChem (CID 123313522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).