(3Z)-3-fluoro-6-methylhepta-1,3,5-trien-4-amine

C8H12FN — CID 130344288

IUPAC(3Z)-3-fluoro-6-methylhepta-1,3,5-trien-4-amine
SMILESC=C/C(F)=C(/N)C=C(C)C
InChIInChI=1S/C8H12FN/c1-4-7(9)8(10)5-6(2)3/h4-5H,1,10H2,2-3H3/b8-7-
InChIKeyMVTVLKOLYSWCRP-FPLPWBNLSA-N
MW141.19 g/mol
LogP2.28
Rot. Bonds2

About (3Z)-3-fluoro-6-methylhepta-1,3,5-trien-4-amine

(3Z)-3-fluoro-6-methylhepta-1,3,5-trien-4-amine (PubChem CID 130344288) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (3Z)-3-fluoro-6-methylhepta-1,3,5-trien-4-amine.

Molecular Properties

Compound Name(3Z)-3-fluoro-6-methylhepta-1,3,5-trien-4-amine
PubChem CID130344288
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(3Z)-3-fluoro-6-methylhepta-1,3,5-trien-4-amine
SMILESC=C/C(F)=C(/N)C=C(C)C
InChIInChI=1S/C8H12FN/c1-4-7(9)8(10)5-6(2)3/h4-5H,1,10H2,2-3H3/b8-7-
InChIKeyMVTVLKOLYSWCRP-FPLPWBNLSA-N
XLogP2.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.28
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 (3Z)-3-fluoro-6-methylhepta-1,3,5-trien-4-amine?
The IUPAC name of (3Z)-3-fluoro-6-methylhepta-1,3,5-trien-4-amine (CID 130344288) is (3Z)-3-fluoro-6-methylhepta-1,3,5-trien-4-amine.
What is the SMILES notation for (3Z)-3-fluoro-6-methylhepta-1,3,5-trien-4-amine?
The canonical SMILES for (3Z)-3-fluoro-6-methylhepta-1,3,5-trien-4-amine is C=C/C(F)=C(/N)C=C(C)C.
What is the InChIKey of (3Z)-3-fluoro-6-methylhepta-1,3,5-trien-4-amine?
The InChIKey is MVTVLKOLYSWCRP-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H12FN/c1-4-7(9)8(10)5-6(2)3/h4-5H,1,10H2,2-3H3/b8-7-.
What are the key properties of (3Z)-3-fluoro-6-methylhepta-1,3,5-trien-4-amine?
(3Z)-3-fluoro-6-methylhepta-1,3,5-trien-4-amine has a molecular weight of 141.19 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-fluoro-6-methylhepta-1,3,5-trien-4-amine is sourced from PubChem (CID 130344288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).