(2E,4E)-5-fluoro-N-propylhepta-2,4,6-trien-2-amine

C10H16FN — CID 143108225

IUPAC(2E,4E)-5-fluoro-N-propylhepta-2,4,6-trien-2-amine
SMILESC=C/C(F)=C\C=C(/C)NCCC
InChIInChI=1S/C10H16FN/c1-4-8-12-9(3)6-7-10(11)5-2/h5-7,12H,2,4,8H2,1,3H3/b9-6+,10-7+
InChIKeyZRBVBYWNSHXZFO-KZZDLZNXSA-N
MW169.24 g/mol
LogP2.93
Rot. Bonds5

About (2E,4E)-5-fluoro-N-propylhepta-2,4,6-trien-2-amine

(2E,4E)-5-fluoro-N-propylhepta-2,4,6-trien-2-amine (PubChem CID 143108225) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is (2E,4E)-5-fluoro-N-propylhepta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2E,4E)-5-fluoro-N-propylhepta-2,4,6-trien-2-amine
PubChem CID143108225
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name(2E,4E)-5-fluoro-N-propylhepta-2,4,6-trien-2-amine
SMILESC=C/C(F)=C\C=C(/C)NCCC
InChIInChI=1S/C10H16FN/c1-4-8-12-9(3)6-7-10(11)5-2/h5-7,12H,2,4,8H2,1,3H3/b9-6+,10-7+
InChIKeyZRBVBYWNSHXZFO-KZZDLZNXSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,4E)-5-fluoro-N-propylhepta-2,4,6-trien-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[(Z)-but-2-en-2-yl]butan-1-amine
CID 134894556
(2Z,4E)-5-fluoro-N-methylhexa-2,4-dien-2-amine
CID 89073527
2-Fluoro-6-methyl-1,2-dihydropyridine
CID 90305541
3-Fluoro-6-methyl-1,2-dihydropyridine
CID 118486766
5-Fluoro-6-methyl-1,2-dihydropyridine
CID 121322294
(2Z,4E,6E)-N-ethyl-8,8,8-trifluoro-7-methylocta-2,4,6-trien-4-amine
CID 126548953
(2E)-4-fluoro-N-methylpenta-2,4-dien-2-amine
CID 130428227
(3E)-3-fluoro-N-propan-2-ylpenta-1,3-dien-2-amine
CID 135302027
(2E,4Z,6Z)-2-N-ethenyl-4-fluoroocta-2,4,6-triene-2,5-diamine
CID 137466729
N-(1-fluoroethyl)buta-1,3-dien-2-amine
CID 138577129
(1Z)-1-N-(1-fluoroethyl)-3-N-propylbuta-1,3-diene-1,3-diamine
CID 138664249
(3E,5E)-6-fluoro-N-methylhepta-1,3,5-trien-3-amine
CID 139341995

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-fluoro-N-propylhepta-2,4,6-trien-2-amine?
The IUPAC name of (2E,4E)-5-fluoro-N-propylhepta-2,4,6-trien-2-amine (CID 143108225) is (2E,4E)-5-fluoro-N-propylhepta-2,4,6-trien-2-amine.
What is the SMILES notation for (2E,4E)-5-fluoro-N-propylhepta-2,4,6-trien-2-amine?
The canonical SMILES for (2E,4E)-5-fluoro-N-propylhepta-2,4,6-trien-2-amine is C=C/C(F)=C\C=C(/C)NCCC.
What is the InChIKey of (2E,4E)-5-fluoro-N-propylhepta-2,4,6-trien-2-amine?
The InChIKey is ZRBVBYWNSHXZFO-KZZDLZNXSA-N. The full InChI is InChI=1S/C10H16FN/c1-4-8-12-9(3)6-7-10(11)5-2/h5-7,12H,2,4,8H2,1,3H3/b9-6+,10-7+.
What are the key properties of (2E,4E)-5-fluoro-N-propylhepta-2,4,6-trien-2-amine?
(2E,4E)-5-fluoro-N-propylhepta-2,4,6-trien-2-amine has a molecular weight of 169.24 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-fluoro-N-propylhepta-2,4,6-trien-2-amine is sourced from PubChem (CID 143108225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).