(3E,5E)-6-fluoro-N,N-dipropylhepta-1,3,5-trien-4-amine

C13H22FN — CID 155749589

IUPAC(3E,5E)-6-fluoro-N,N-dipropylhepta-1,3,5-trien-4-amine
SMILESC=C/C=C(\C=C(/C)F)N(CCC)CCC
InChIInChI=1S/C13H22FN/c1-5-8-13(11-12(4)14)15(9-6-2)10-7-3/h5,8,11H,1,6-7,9-10H2,2-4H3/b12-11+,13-8+
InChIKeyZZGLSVDASNSIQT-FYXALXGLSA-N
MW211.32 g/mol
LogP4.05
Rot. Bonds7

About (3E,5E)-6-fluoro-N,N-dipropylhepta-1,3,5-trien-4-amine

(3E,5E)-6-fluoro-N,N-dipropylhepta-1,3,5-trien-4-amine (PubChem CID 155749589) has the molecular formula C13H22FN and a molecular weight of 211.32 g/mol. Its IUPAC name is (3E,5E)-6-fluoro-N,N-dipropylhepta-1,3,5-trien-4-amine.

Molecular Properties

Compound Name(3E,5E)-6-fluoro-N,N-dipropylhepta-1,3,5-trien-4-amine
PubChem CID155749589
Molecular FormulaC13H22FN
Molecular Weight211.32 g/mol
Exact Mass211.17
IUPAC Name(3E,5E)-6-fluoro-N,N-dipropylhepta-1,3,5-trien-4-amine
SMILESC=C/C=C(\C=C(/C)F)N(CCC)CCC
InChIInChI=1S/C13H22FN/c1-5-8-13(11-12(4)14)15(9-6-2)10-7-3/h5,8,11H,1,6-7,9-10H2,2-4H3/b12-11+,13-8+
InChIKeyZZGLSVDASNSIQT-FYXALXGLSA-N
XLogP4.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.32
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E,5E)-6-fluoro-N,N-dipropylhepta-1,3,5-trien-4-amine with MolForge

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Launch Full Analysis

Related Compounds

6-ethenyl-1-methyl-2H-pyridine
CID 22719088
1-Butyl-4-(dimethylamino)pyridine
CID 23048244
(2Z)-3-fluoro-1-methyl-2-prop-2-enylidenepyridine
CID 88227504
3-Fluoro-1-hexa-2,4-dien-3-ylazetidine
CID 123754444
3-fluoro-N,N-dimethylhexa-1,3,5-trien-2-amine
CID 123814892
(3E,5Z)-N-but-3-enyl-6-fluoro-N-methylhexa-1,3,5-trien-2-amine
CID 124175129
(1E,3E)-N-but-3-en-2-yl-1-fluoro-N-methylpenta-1,3-dien-1-amine
CID 129055567
2-fluoro-1-propyl-2H-pyridine
CID 140054350
5-fluoro-1,6-dimethyl-2H-pyridine
CID 141816526
N'-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 142099602
N'-[(3E)-4,5-difluorohexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 142099608
N'-[(3E)-3,5-difluorohexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 142099623

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-6-fluoro-N,N-dipropylhepta-1,3,5-trien-4-amine?
The IUPAC name of (3E,5E)-6-fluoro-N,N-dipropylhepta-1,3,5-trien-4-amine (CID 155749589) is (3E,5E)-6-fluoro-N,N-dipropylhepta-1,3,5-trien-4-amine.
What is the SMILES notation for (3E,5E)-6-fluoro-N,N-dipropylhepta-1,3,5-trien-4-amine?
The canonical SMILES for (3E,5E)-6-fluoro-N,N-dipropylhepta-1,3,5-trien-4-amine is C=C/C=C(\C=C(/C)F)N(CCC)CCC.
What is the InChIKey of (3E,5E)-6-fluoro-N,N-dipropylhepta-1,3,5-trien-4-amine?
The InChIKey is ZZGLSVDASNSIQT-FYXALXGLSA-N. The full InChI is InChI=1S/C13H22FN/c1-5-8-13(11-12(4)14)15(9-6-2)10-7-3/h5,8,11H,1,6-7,9-10H2,2-4H3/b12-11+,13-8+.
What are the key properties of (3E,5E)-6-fluoro-N,N-dipropylhepta-1,3,5-trien-4-amine?
(3E,5E)-6-fluoro-N,N-dipropylhepta-1,3,5-trien-4-amine has a molecular weight of 211.32 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-6-fluoro-N,N-dipropylhepta-1,3,5-trien-4-amine is sourced from PubChem (CID 155749589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).