(3Z)-3,7-difluoro-N,N-dimethylnona-1,3,5,8-tetraen-4-amine

C11H15F2N — CID 174310536

IUPAC(3Z)-3,7-difluoro-N,N-dimethylnona-1,3,5,8-tetraen-4-amine
SMILESC=C/C(F)=C(\C=CC(F)C=C)N(C)C
InChIInChI=1S/C11H15F2N/c1-5-9(12)7-8-11(14(3)4)10(13)6-2/h5-9H,1-2H2,3-4H3/b8-7?,11-10-
InChIKeyOAWFFKAASRJBOO-UUCQBQOYSA-N
MW199.24 g/mol
LogP3.00
Rot. Bonds5

About (3Z)-3,7-difluoro-N,N-dimethylnona-1,3,5,8-tetraen-4-amine

(3Z)-3,7-difluoro-N,N-dimethylnona-1,3,5,8-tetraen-4-amine (PubChem CID 174310536) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is (3Z)-3,7-difluoro-N,N-dimethylnona-1,3,5,8-tetraen-4-amine.

Molecular Properties

Compound Name(3Z)-3,7-difluoro-N,N-dimethylnona-1,3,5,8-tetraen-4-amine
PubChem CID174310536
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC Name(3Z)-3,7-difluoro-N,N-dimethylnona-1,3,5,8-tetraen-4-amine
SMILESC=C/C(F)=C(\C=CC(F)C=C)N(C)C
InChIInChI=1S/C11H15F2N/c1-5-9(12)7-8-11(14(3)4)10(13)6-2/h5-9H,1-2H2,3-4H3/b8-7?,11-10-
InChIKeyOAWFFKAASRJBOO-UUCQBQOYSA-N
XLogP3.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z)-3,7-difluoro-N,N-dimethylnona-1,3,5,8-tetraen-4-amine 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 (3Z)-3,7-difluoro-N,N-dimethylnona-1,3,5,8-tetraen-4-amine?
The IUPAC name of (3Z)-3,7-difluoro-N,N-dimethylnona-1,3,5,8-tetraen-4-amine (CID 174310536) is (3Z)-3,7-difluoro-N,N-dimethylnona-1,3,5,8-tetraen-4-amine.
What is the SMILES notation for (3Z)-3,7-difluoro-N,N-dimethylnona-1,3,5,8-tetraen-4-amine?
The canonical SMILES for (3Z)-3,7-difluoro-N,N-dimethylnona-1,3,5,8-tetraen-4-amine is C=C/C(F)=C(\C=CC(F)C=C)N(C)C.
What is the InChIKey of (3Z)-3,7-difluoro-N,N-dimethylnona-1,3,5,8-tetraen-4-amine?
The InChIKey is OAWFFKAASRJBOO-UUCQBQOYSA-N. The full InChI is InChI=1S/C11H15F2N/c1-5-9(12)7-8-11(14(3)4)10(13)6-2/h5-9H,1-2H2,3-4H3/b8-7?,11-10-.
What are the key properties of (3Z)-3,7-difluoro-N,N-dimethylnona-1,3,5,8-tetraen-4-amine?
(3Z)-3,7-difluoro-N,N-dimethylnona-1,3,5,8-tetraen-4-amine has a molecular weight of 199.24 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3,7-difluoro-N,N-dimethylnona-1,3,5,8-tetraen-4-amine is sourced from PubChem (CID 174310536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).