3-[methyl(2-methylpropyl)amino]oct-1-en-2-ol

C13H27NO — CID 156794666

IUPAC3-[methyl(2-methylpropyl)amino]oct-1-en-2-ol
SMILESC=C(O)C(CCCCC)N(C)CC(C)C
InChIInChI=1S/C13H27NO/c1-6-7-8-9-13(12(4)15)14(5)10-11(2)3/h11,13,15H,4,6-10H2,1-3,5H3
InChIKeyMTWVNWFCCOZLPZ-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.59
Rot. Bonds8

About 3-[methyl(2-methylpropyl)amino]oct-1-en-2-ol

3-[methyl(2-methylpropyl)amino]oct-1-en-2-ol (PubChem CID 156794666) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-[methyl(2-methylpropyl)amino]oct-1-en-2-ol.

Molecular Properties

Compound Name3-[methyl(2-methylpropyl)amino]oct-1-en-2-ol
PubChem CID156794666
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-[methyl(2-methylpropyl)amino]oct-1-en-2-ol
SMILESC=C(O)C(CCCCC)N(C)CC(C)C
InChIInChI=1S/C13H27NO/c1-6-7-8-9-13(12(4)15)14(5)10-11(2)3/h11,13,15H,4,6-10H2,1-3,5H3
InChIKeyMTWVNWFCCOZLPZ-UHFFFAOYSA-N
XLogP3.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1-Methylpiperidin-2-yl)ethenol
CID 76831448
1-[(2S)-1-tert-butylpiperidin-2-yl]ethenol
CID 170290439
1-[(2S)-1-methylpiperidin-2-yl]ethenol
CID 178103114
3-[Di(propan-2-yl)amino]-2,6-dimethylhept-6-en-2-ol
CID 144343955
4-Cyclohexyl-3-(dimethylamino)but-1-en-2-ol
CID 171106708

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2-methylpropyl)amino]oct-1-en-2-ol?
The IUPAC name of 3-[methyl(2-methylpropyl)amino]oct-1-en-2-ol (CID 156794666) is 3-[methyl(2-methylpropyl)amino]oct-1-en-2-ol.
What is the SMILES notation for 3-[methyl(2-methylpropyl)amino]oct-1-en-2-ol?
The canonical SMILES for 3-[methyl(2-methylpropyl)amino]oct-1-en-2-ol is C=C(O)C(CCCCC)N(C)CC(C)C.
What is the InChIKey of 3-[methyl(2-methylpropyl)amino]oct-1-en-2-ol?
The InChIKey is MTWVNWFCCOZLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-6-7-8-9-13(12(4)15)14(5)10-11(2)3/h11,13,15H,4,6-10H2,1-3,5H3.
What are the key properties of 3-[methyl(2-methylpropyl)amino]oct-1-en-2-ol?
3-[methyl(2-methylpropyl)amino]oct-1-en-2-ol has a molecular weight of 213.36 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2-methylpropyl)amino]oct-1-en-2-ol is sourced from PubChem (CID 156794666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).