2-methyl-1-[methyl(propyl)amino]oct-7-en-4-ol

C13H27NO — CID 139336632

IUPAC2-methyl-1-[methyl(propyl)amino]oct-7-en-4-ol
SMILESC=CCCC(O)CC(C)CN(C)CCC
InChIInChI=1S/C13H27NO/c1-5-7-8-13(15)10-12(3)11-14(4)9-6-2/h5,12-13,15H,1,6-11H2,2-4H3
InChIKeyWAEFUCKNGGVPMH-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.68
Rot. Bonds9

About 2-methyl-1-[methyl(propyl)amino]oct-7-en-4-ol

2-methyl-1-[methyl(propyl)amino]oct-7-en-4-ol (PubChem CID 139336632) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-methyl-1-[methyl(propyl)amino]oct-7-en-4-ol.

Molecular Properties

Compound Name2-methyl-1-[methyl(propyl)amino]oct-7-en-4-ol
PubChem CID139336632
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-methyl-1-[methyl(propyl)amino]oct-7-en-4-ol
SMILESC=CCCC(O)CC(C)CN(C)CCC
InChIInChI=1S/C13H27NO/c1-5-7-8-13(15)10-12(3)11-14(4)9-6-2/h5,12-13,15H,1,6-11H2,2-4H3
InChIKeyWAEFUCKNGGVPMH-UHFFFAOYSA-N
XLogP2.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.68
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 2-methyl-1-[methyl(propyl)amino]oct-7-en-4-ol?
The IUPAC name of 2-methyl-1-[methyl(propyl)amino]oct-7-en-4-ol (CID 139336632) is 2-methyl-1-[methyl(propyl)amino]oct-7-en-4-ol.
What is the SMILES notation for 2-methyl-1-[methyl(propyl)amino]oct-7-en-4-ol?
The canonical SMILES for 2-methyl-1-[methyl(propyl)amino]oct-7-en-4-ol is C=CCCC(O)CC(C)CN(C)CCC.
What is the InChIKey of 2-methyl-1-[methyl(propyl)amino]oct-7-en-4-ol?
The InChIKey is WAEFUCKNGGVPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-7-8-13(15)10-12(3)11-14(4)9-6-2/h5,12-13,15H,1,6-11H2,2-4H3.
What are the key properties of 2-methyl-1-[methyl(propyl)amino]oct-7-en-4-ol?
2-methyl-1-[methyl(propyl)amino]oct-7-en-4-ol has a molecular weight of 213.36 g/mol, XLogP of 2.68, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl(propyl)amino]oct-7-en-4-ol is sourced from PubChem (CID 139336632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).