(4Z)-6-fluoro-N,3-dimethylhepta-4,6-dien-2-amine

C9H16FN — CID 153166821

IUPAC(4Z)-6-fluoro-N,3-dimethylhepta-4,6-dien-2-amine
SMILESC=C(F)/C=C\C(C)C(C)NC
InChIInChI=1S/C9H16FN/c1-7(9(3)11-4)5-6-8(2)10/h5-7,9,11H,2H2,1,3-4H3/b6-5-
InChIKeyWDKWVUQFMHVYIY-WAYWQWQTSA-N
MW157.23 g/mol
LogP2.27
Rot. Bonds4

About (4Z)-6-fluoro-N,3-dimethylhepta-4,6-dien-2-amine

(4Z)-6-fluoro-N,3-dimethylhepta-4,6-dien-2-amine (PubChem CID 153166821) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is (4Z)-6-fluoro-N,3-dimethylhepta-4,6-dien-2-amine.

Molecular Properties

Compound Name(4Z)-6-fluoro-N,3-dimethylhepta-4,6-dien-2-amine
PubChem CID153166821
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name(4Z)-6-fluoro-N,3-dimethylhepta-4,6-dien-2-amine
SMILESC=C(F)/C=C\C(C)C(C)NC
InChIInChI=1S/C9H16FN/c1-7(9(3)11-4)5-6-8(2)10/h5-7,9,11H,2H2,1,3-4H3/b6-5-
InChIKeyWDKWVUQFMHVYIY-WAYWQWQTSA-N
XLogP2.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-6-fluoro-N,3-dimethylhepta-4,6-dien-2-amine?
The IUPAC name of (4Z)-6-fluoro-N,3-dimethylhepta-4,6-dien-2-amine (CID 153166821) is (4Z)-6-fluoro-N,3-dimethylhepta-4,6-dien-2-amine.
What is the SMILES notation for (4Z)-6-fluoro-N,3-dimethylhepta-4,6-dien-2-amine?
The canonical SMILES for (4Z)-6-fluoro-N,3-dimethylhepta-4,6-dien-2-amine is C=C(F)/C=C\C(C)C(C)NC.
What is the InChIKey of (4Z)-6-fluoro-N,3-dimethylhepta-4,6-dien-2-amine?
The InChIKey is WDKWVUQFMHVYIY-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H16FN/c1-7(9(3)11-4)5-6-8(2)10/h5-7,9,11H,2H2,1,3-4H3/b6-5-.
What are the key properties of (4Z)-6-fluoro-N,3-dimethylhepta-4,6-dien-2-amine?
(4Z)-6-fluoro-N,3-dimethylhepta-4,6-dien-2-amine has a molecular weight of 157.23 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-6-fluoro-N,3-dimethylhepta-4,6-dien-2-amine is sourced from PubChem (CID 153166821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).