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

C9H16FN — CID 146499180

IUPAC(2E,4Z)-6-fluoro-N,6-dimethylhepta-2,4-dien-3-amine
SMILESC/C=C(\C=C/C(C)(C)F)NC
InChIInChI=1S/C9H16FN/c1-5-8(11-4)6-7-9(2,3)10/h5-7,11H,1-4H3/b7-6-,8-5+
InChIKeyYYBDJOIRRQPWHI-WNXMRAAYSA-N
MW157.23 g/mol
LogP2.41
Rot. Bonds3

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

(2E,4Z)-6-fluoro-N,6-dimethylhepta-2,4-dien-3-amine (PubChem CID 146499180) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is (2E,4Z)-6-fluoro-N,6-dimethylhepta-2,4-dien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-6-fluoro-N,6-dimethylhepta-2,4-dien-3-amine
PubChem CID146499180
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name(2E,4Z)-6-fluoro-N,6-dimethylhepta-2,4-dien-3-amine
SMILESC/C=C(\C=C/C(C)(C)F)NC
InChIInChI=1S/C9H16FN/c1-5-8(11-4)6-7-9(2,3)10/h5-7,11H,1-4H3/b7-6-,8-5+
InChIKeyYYBDJOIRRQPWHI-WNXMRAAYSA-N
XLogP2.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.41
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 (2E,4Z)-6-fluoro-N,6-dimethylhepta-2,4-dien-3-amine?
The IUPAC name of (2E,4Z)-6-fluoro-N,6-dimethylhepta-2,4-dien-3-amine (CID 146499180) is (2E,4Z)-6-fluoro-N,6-dimethylhepta-2,4-dien-3-amine.
What is the SMILES notation for (2E,4Z)-6-fluoro-N,6-dimethylhepta-2,4-dien-3-amine?
The canonical SMILES for (2E,4Z)-6-fluoro-N,6-dimethylhepta-2,4-dien-3-amine is C/C=C(\C=C/C(C)(C)F)NC.
What is the InChIKey of (2E,4Z)-6-fluoro-N,6-dimethylhepta-2,4-dien-3-amine?
The InChIKey is YYBDJOIRRQPWHI-WNXMRAAYSA-N. The full InChI is InChI=1S/C9H16FN/c1-5-8(11-4)6-7-9(2,3)10/h5-7,11H,1-4H3/b7-6-,8-5+.
What are the key properties of (2E,4Z)-6-fluoro-N,6-dimethylhepta-2,4-dien-3-amine?
(2E,4Z)-6-fluoro-N,6-dimethylhepta-2,4-dien-3-amine has a molecular weight of 157.23 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-6-fluoro-N,6-dimethylhepta-2,4-dien-3-amine is sourced from PubChem (CID 146499180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).