5-[[methyl(propyl)amino]methyl]oct-7-en-3-ol

C13H27NO — CID 139336744

IUPAC5-[[methyl(propyl)amino]methyl]oct-7-en-3-ol
SMILESC=CCC(CC(O)CC)CN(C)CCC
InChIInChI=1S/C13H27NO/c1-5-8-12(10-13(15)7-3)11-14(4)9-6-2/h5,12-13,15H,1,6-11H2,2-4H3
InChIKeyYUBZVTIEDWRQOU-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.68
Rot. Bonds9

About 5-[[methyl(propyl)amino]methyl]oct-7-en-3-ol

5-[[methyl(propyl)amino]methyl]oct-7-en-3-ol (PubChem CID 139336744) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 5-[[methyl(propyl)amino]methyl]oct-7-en-3-ol.

Molecular Properties

Compound Name5-[[methyl(propyl)amino]methyl]oct-7-en-3-ol
PubChem CID139336744
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name5-[[methyl(propyl)amino]methyl]oct-7-en-3-ol
SMILESC=CCC(CC(O)CC)CN(C)CCC
InChIInChI=1S/C13H27NO/c1-5-8-12(10-13(15)7-3)11-14(4)9-6-2/h5,12-13,15H,1,6-11H2,2-4H3
InChIKeyYUBZVTIEDWRQOU-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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Related Compounds

3-(2-Dimethylaminoethyl)-7-hydroxy-nona-1,8-diene
CID 23458142
1-Methyl-3-prop-2-enylpiperidin-4-ol
CID 59827004
(2-Hydroxy-3-prop-2-enylheptyl)-trimethylazanium
CID 87213392
5,7-Bis[(dibutylamino)methyl]undeca-2,9-dien-6-ol
CID 88330801
4-[2-[Ethyl(methyl)amino]ethyl]cyclohex-2-en-1-ol
CID 90916937
1-(Dimethylamino)oct-7-en-3-ol
CID 115345967
2-Methyl-1-[methyl(propyl)amino]oct-7-en-4-ol
CID 139336632
1-(1,2,2,6,6-Pentamethylpiperidin-4-yl)prop-2-en-1-ol
CID 140354086
Cyclohex-3-en-1-yl(diethylamino)methanol
CID 145571397
3-[[Methyl(propyl)amino]methyl]hex-5-en-1-ol
CID 145649733
5-[[Ethenyl(2-hydroxybutyl)amino]methyl]hept-6-en-3-ol
CID 169883098
1-(1-Methylpyrrolidin-3-yl)but-3-en-2-ol
CID 13418725

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(propyl)amino]methyl]oct-7-en-3-ol?
The IUPAC name of 5-[[methyl(propyl)amino]methyl]oct-7-en-3-ol (CID 139336744) is 5-[[methyl(propyl)amino]methyl]oct-7-en-3-ol.
What is the SMILES notation for 5-[[methyl(propyl)amino]methyl]oct-7-en-3-ol?
The canonical SMILES for 5-[[methyl(propyl)amino]methyl]oct-7-en-3-ol is C=CCC(CC(O)CC)CN(C)CCC.
What is the InChIKey of 5-[[methyl(propyl)amino]methyl]oct-7-en-3-ol?
The InChIKey is YUBZVTIEDWRQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-8-12(10-13(15)7-3)11-14(4)9-6-2/h5,12-13,15H,1,6-11H2,2-4H3.
What are the key properties of 5-[[methyl(propyl)amino]methyl]oct-7-en-3-ol?
5-[[methyl(propyl)amino]methyl]oct-7-en-3-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 5-[[methyl(propyl)amino]methyl]oct-7-en-3-ol is sourced from PubChem (CID 139336744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).