8-(methylamino)oct-1-en-3-ol

C9H19NO — CID 88903879

IUPAC8-(methylamino)oct-1-en-3-ol
SMILESC=CC(O)CCCCCNC
InChIInChI=1S/C9H19NO/c1-3-9(11)7-5-4-6-8-10-2/h3,9-11H,1,4-8H2,2H3
InChIKeyZZLKYEZRMHFXFR-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.31
Rot. Bonds7

About 8-(methylamino)oct-1-en-3-ol

8-(methylamino)oct-1-en-3-ol (PubChem CID 88903879) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 8-(methylamino)oct-1-en-3-ol.

Molecular Properties

Compound Name8-(methylamino)oct-1-en-3-ol
PubChem CID88903879
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name8-(methylamino)oct-1-en-3-ol
SMILESC=CC(O)CCCCCNC
InChIInChI=1S/C9H19NO/c1-3-9(11)7-5-4-6-8-10-2/h3,9-11H,1,4-8H2,2H3
InChIKeyZZLKYEZRMHFXFR-UHFFFAOYSA-N
XLogP1.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-(methylamino)oct-1-en-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(Methylamino)hept-1-en-4-ol
CID 23122171
(4R)-7-(methylamino)hept-1-en-4-ol
CID 55288001
8-Aminooct-1-en-3-ol
CID 87089111
(4S)-7-(methylamino)hept-1-en-4-ol
CID 87732514
6-(But-3-enylamino)hexan-1-ol
CID 88198044
8-(6-Hydroxyoct-7-enylamino)oct-1-en-3-ol
CID 88840096
(2R)-5-(methylamino)non-8-en-2-ol
CID 89375614
6-(Pent-4-enylamino)hexan-1-ol
CID 107851763
(3S)-8-aminooct-1-en-3-ol
CID 117781784
(3S)-3-ethenyl-7-(methylamino)heptan-2-ol
CID 156107893
(3Z)-11-(methylamino)undeca-1,3-dien-6-ol
CID 156552309
(3R)-7-aminohept-1-en-3-ol;ethane
CID 162375843

Frequently Asked Questions

What is the IUPAC name of 8-(methylamino)oct-1-en-3-ol?
The IUPAC name of 8-(methylamino)oct-1-en-3-ol (CID 88903879) is 8-(methylamino)oct-1-en-3-ol.
What is the SMILES notation for 8-(methylamino)oct-1-en-3-ol?
The canonical SMILES for 8-(methylamino)oct-1-en-3-ol is C=CC(O)CCCCCNC.
What is the InChIKey of 8-(methylamino)oct-1-en-3-ol?
The InChIKey is ZZLKYEZRMHFXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-9(11)7-5-4-6-8-10-2/h3,9-11H,1,4-8H2,2H3.
What are the key properties of 8-(methylamino)oct-1-en-3-ol?
8-(methylamino)oct-1-en-3-ol has a molecular weight of 157.26 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methylamino)oct-1-en-3-ol is sourced from PubChem (CID 88903879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).