(3E,5E)-6-fluoro-N,N,3-trimethylnona-3,5-dien-7-yn-1-amine

C12H18FN — CID 126549001

IUPAC(3E,5E)-6-fluoro-N,N,3-trimethylnona-3,5-dien-7-yn-1-amine
SMILESCC#C/C(F)=C\C=C(/C)CCN(C)C
InChIInChI=1S/C12H18FN/c1-5-6-12(13)8-7-11(2)9-10-14(3)4/h7-8H,9-10H2,1-4H3/b11-7+,12-8+
InChIKeyJTQYUMADQGIKFJ-MKICQXMISA-N
MW195.28 g/mol
LogP2.76
Rot. Bonds4

About (3E,5E)-6-fluoro-N,N,3-trimethylnona-3,5-dien-7-yn-1-amine

(3E,5E)-6-fluoro-N,N,3-trimethylnona-3,5-dien-7-yn-1-amine (PubChem CID 126549001) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is (3E,5E)-6-fluoro-N,N,3-trimethylnona-3,5-dien-7-yn-1-amine.

Molecular Properties

Compound Name(3E,5E)-6-fluoro-N,N,3-trimethylnona-3,5-dien-7-yn-1-amine
PubChem CID126549001
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name(3E,5E)-6-fluoro-N,N,3-trimethylnona-3,5-dien-7-yn-1-amine
SMILESCC#C/C(F)=C\C=C(/C)CCN(C)C
InChIInChI=1S/C12H18FN/c1-5-6-12(13)8-7-11(2)9-10-14(3)4/h7-8H,9-10H2,1-4H3/b11-7+,12-8+
InChIKeyJTQYUMADQGIKFJ-MKICQXMISA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E,5E)-6-fluoro-N,N,3-trimethylnona-3,5-dien-7-yn-1-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 (3E,5E)-6-fluoro-N,N,3-trimethylnona-3,5-dien-7-yn-1-amine?
The IUPAC name of (3E,5E)-6-fluoro-N,N,3-trimethylnona-3,5-dien-7-yn-1-amine (CID 126549001) is (3E,5E)-6-fluoro-N,N,3-trimethylnona-3,5-dien-7-yn-1-amine.
What is the SMILES notation for (3E,5E)-6-fluoro-N,N,3-trimethylnona-3,5-dien-7-yn-1-amine?
The canonical SMILES for (3E,5E)-6-fluoro-N,N,3-trimethylnona-3,5-dien-7-yn-1-amine is CC#C/C(F)=C\C=C(/C)CCN(C)C.
What is the InChIKey of (3E,5E)-6-fluoro-N,N,3-trimethylnona-3,5-dien-7-yn-1-amine?
The InChIKey is JTQYUMADQGIKFJ-MKICQXMISA-N. The full InChI is InChI=1S/C12H18FN/c1-5-6-12(13)8-7-11(2)9-10-14(3)4/h7-8H,9-10H2,1-4H3/b11-7+,12-8+.
What are the key properties of (3E,5E)-6-fluoro-N,N,3-trimethylnona-3,5-dien-7-yn-1-amine?
(3E,5E)-6-fluoro-N,N,3-trimethylnona-3,5-dien-7-yn-1-amine has a molecular weight of 195.28 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-6-fluoro-N,N,3-trimethylnona-3,5-dien-7-yn-1-amine is sourced from PubChem (CID 126549001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).