(2E)-5-fluoro-4-methylhepta-2,6-dien-1-amine

C8H14FN — CID 143973173

IUPAC(2E)-5-fluoro-4-methylhepta-2,6-dien-1-amine
SMILESC=CC(F)C(C)/C=C/CN
InChIInChI=1S/C8H14FN/c1-3-8(9)7(2)5-4-6-10/h3-5,7-8H,1,6,10H2,2H3/b5-4+
InChIKeyBRYUEIHNBWYUON-SNAWJCMRSA-N
MW143.20 g/mol
LogP1.66
Rot. Bonds4

About (2E)-5-fluoro-4-methylhepta-2,6-dien-1-amine

(2E)-5-fluoro-4-methylhepta-2,6-dien-1-amine (PubChem CID 143973173) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is (2E)-5-fluoro-4-methylhepta-2,6-dien-1-amine.

Molecular Properties

Compound Name(2E)-5-fluoro-4-methylhepta-2,6-dien-1-amine
PubChem CID143973173
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Name(2E)-5-fluoro-4-methylhepta-2,6-dien-1-amine
SMILESC=CC(F)C(C)/C=C/CN
InChIInChI=1S/C8H14FN/c1-3-8(9)7(2)5-4-6-10/h3-5,7-8H,1,6,10H2,2H3/b5-4+
InChIKeyBRYUEIHNBWYUON-SNAWJCMRSA-N
XLogP1.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-5-fluoro-4-methylhepta-2,6-dien-1-amine?
The IUPAC name of (2E)-5-fluoro-4-methylhepta-2,6-dien-1-amine (CID 143973173) is (2E)-5-fluoro-4-methylhepta-2,6-dien-1-amine.
What is the SMILES notation for (2E)-5-fluoro-4-methylhepta-2,6-dien-1-amine?
The canonical SMILES for (2E)-5-fluoro-4-methylhepta-2,6-dien-1-amine is C=CC(F)C(C)/C=C/CN.
What is the InChIKey of (2E)-5-fluoro-4-methylhepta-2,6-dien-1-amine?
The InChIKey is BRYUEIHNBWYUON-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H14FN/c1-3-8(9)7(2)5-4-6-10/h3-5,7-8H,1,6,10H2,2H3/b5-4+.
What are the key properties of (2E)-5-fluoro-4-methylhepta-2,6-dien-1-amine?
(2E)-5-fluoro-4-methylhepta-2,6-dien-1-amine has a molecular weight of 143.20 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-fluoro-4-methylhepta-2,6-dien-1-amine is sourced from PubChem (CID 143973173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).