N-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienyl]-N',N'-dimethylethane-1,2-diamine

C11H19FN2 — CID 171513401

IUPACN-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienyl]-N',N'-dimethylethane-1,2-diamine
SMILESC=C/C=C(/CNCCN(C)C)C(=C)F
InChIInChI=1S/C11H19FN2/c1-5-6-11(10(2)12)9-13-7-8-14(3)4/h5-6,13H,1-2,7-9H2,3-4H3/b11-6-
InChIKeyMAMDLJIYUJVBLJ-WDZFZDKYSA-N
MW198.28 g/mol
LogP1.73
Rot. Bonds7

About N-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienyl]-N',N'-dimethylethane-1,2-diamine

N-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 171513401) has the molecular formula C11H19FN2 and a molecular weight of 198.28 g/mol. Its IUPAC name is N-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID171513401
Molecular FormulaC11H19FN2
Molecular Weight198.28 g/mol
Exact Mass198.15
IUPAC NameN-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienyl]-N',N'-dimethylethane-1,2-diamine
SMILESC=C/C=C(/CNCCN(C)C)C(=C)F
InChIInChI=1S/C11H19FN2/c1-5-6-11(10(2)12)9-13-7-8-14(3)4/h5-6,13H,1-2,7-9H2,3-4H3/b11-6-
InChIKeyMAMDLJIYUJVBLJ-WDZFZDKYSA-N
XLogP1.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2Z,4E)-5-fluoro-2-methylhepta-2,4,6-trienyl]-N',N'-dimethylethane-1,2-diamine
CID 129136227
(5Z,7Z,9Z)-6-fluoro-7-methyl-1-propyl-1,4-diazacyclododeca-5,7,9-triene
CID 129274149
(2E)-N-(2-fluoroethyl)-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine
CID 141974143
(3S)-1-[(2Z,4Z)-3-fluoro-2-methylhepta-2,4,6-trienyl]-3-methylpiperazine
CID 142262364
(2Z)-2-(1-fluoroethenyl)-N-propan-2-ylpenta-2,4-dien-1-amine
CID 142464980
(2S,5R)-1-[(2E,3Z)-2-ethylidene-5-fluorohexa-3,5-dienyl]-2,5-dimethylpiperazine
CID 142871687
(2E,4E)-3-ethenyl-1-N-[(E)-2-ethylpent-2-enyl]-4-fluorohexa-2,4-diene-1,2-diamine
CID 143686557
N'-[(2Z)-2-ethenyl-3-fluoro-5-methylhexa-2,4-dienyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine
CID 144309589
1-N-ethyl-2-N-[(3Z,5E)-5-fluoroocta-3,5,7-trienyl]-1-N,2-dimethylpropane-1,2-diamine
CID 156192053
(2Z)-2-(1-fluoroethyl)-N-propylpenta-2,4-dien-1-amine
CID 169885539
(E,2E)-N-ethyl-2-ethylidene-4-fluorohex-3-en-1-amine
CID 170709241
(2E,4Z)-N-ethyl-4-[(E)-1-fluoroprop-1-enyl]hepta-2,4,6-trien-1-amine
CID 174350380

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienyl]-N',N'-dimethylethane-1,2-diamine (CID 171513401) is N-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienyl]-N',N'-dimethylethane-1,2-diamine is C=C/C=C(/CNCCN(C)C)C(=C)F.
What is the InChIKey of N-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is MAMDLJIYUJVBLJ-WDZFZDKYSA-N. The full InChI is InChI=1S/C11H19FN2/c1-5-6-11(10(2)12)9-13-7-8-14(3)4/h5-6,13H,1-2,7-9H2,3-4H3/b11-6-.
What are the key properties of N-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienyl]-N',N'-dimethylethane-1,2-diamine?
N-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 198.28 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 171513401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).