(4Z,6Z)-3,8-dimethyl-8-(methylamino)nona-4,6-dien-1-ol

C12H23NO — CID 89192989

IUPAC(4Z,6Z)-3,8-dimethyl-8-(methylamino)nona-4,6-dien-1-ol
SMILESCNC(C)(C)/C=C\C=C/C(C)CCO
InChIInChI=1S/C12H23NO/c1-11(8-10-14)7-5-6-9-12(2,3)13-4/h5-7,9,11,13-14H,8,10H2,1-4H3/b7-5-,9-6-
InChIKeyJUMOXSKXDZTSLJ-BSIYMUDXSA-N
MW197.32 g/mol
LogP2.12
Rot. Bonds6

About (4Z,6Z)-3,8-dimethyl-8-(methylamino)nona-4,6-dien-1-ol

(4Z,6Z)-3,8-dimethyl-8-(methylamino)nona-4,6-dien-1-ol (PubChem CID 89192989) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (4Z,6Z)-3,8-dimethyl-8-(methylamino)nona-4,6-dien-1-ol.

Molecular Properties

Compound Name(4Z,6Z)-3,8-dimethyl-8-(methylamino)nona-4,6-dien-1-ol
PubChem CID89192989
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(4Z,6Z)-3,8-dimethyl-8-(methylamino)nona-4,6-dien-1-ol
SMILESCNC(C)(C)/C=C\C=C/C(C)CCO
InChIInChI=1S/C12H23NO/c1-11(8-10-14)7-5-6-9-12(2,3)13-4/h5-7,9,11,13-14H,8,10H2,1-4H3/b7-5-,9-6-
InChIKeyJUMOXSKXDZTSLJ-BSIYMUDXSA-N
XLogP2.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4Z,6Z)-3,8-dimethyl-8-(methylamino)nona-4,6-dien-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-3,8-dimethyl-8-(methylamino)nona-4,6-dien-1-ol?
The IUPAC name of (4Z,6Z)-3,8-dimethyl-8-(methylamino)nona-4,6-dien-1-ol (CID 89192989) is (4Z,6Z)-3,8-dimethyl-8-(methylamino)nona-4,6-dien-1-ol.
What is the SMILES notation for (4Z,6Z)-3,8-dimethyl-8-(methylamino)nona-4,6-dien-1-ol?
The canonical SMILES for (4Z,6Z)-3,8-dimethyl-8-(methylamino)nona-4,6-dien-1-ol is CNC(C)(C)/C=C\C=C/C(C)CCO.
What is the InChIKey of (4Z,6Z)-3,8-dimethyl-8-(methylamino)nona-4,6-dien-1-ol?
The InChIKey is JUMOXSKXDZTSLJ-BSIYMUDXSA-N. The full InChI is InChI=1S/C12H23NO/c1-11(8-10-14)7-5-6-9-12(2,3)13-4/h5-7,9,11,13-14H,8,10H2,1-4H3/b7-5-,9-6-.
What are the key properties of (4Z,6Z)-3,8-dimethyl-8-(methylamino)nona-4,6-dien-1-ol?
(4Z,6Z)-3,8-dimethyl-8-(methylamino)nona-4,6-dien-1-ol has a molecular weight of 197.32 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-3,8-dimethyl-8-(methylamino)nona-4,6-dien-1-ol is sourced from PubChem (CID 89192989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).