(E)-2-[(Z)-2-fluoroethenyl]-1-N-methylhept-2-ene-1,3-diamine

C10H19FN2 — CID 134493447

IUPAC(E)-2-[(Z)-2-fluoroethenyl]-1-N-methylhept-2-ene-1,3-diamine
SMILESCCCC/C(N)=C(/C=C\F)CNC
InChIInChI=1S/C10H19FN2/c1-3-4-5-10(12)9(6-7-11)8-13-2/h6-7,13H,3-5,8,12H2,1-2H3/b7-6-,10-9+
InChIKeyLVODLAJNPDDQCB-IXWMQOLASA-N
MW186.27 g/mol
LogP2.09
Rot. Bonds6

About (E)-2-[(Z)-2-fluoroethenyl]-1-N-methylhept-2-ene-1,3-diamine

(E)-2-[(Z)-2-fluoroethenyl]-1-N-methylhept-2-ene-1,3-diamine (PubChem CID 134493447) has the molecular formula C10H19FN2 and a molecular weight of 186.27 g/mol. Its IUPAC name is (E)-2-[(Z)-2-fluoroethenyl]-1-N-methylhept-2-ene-1,3-diamine.

Molecular Properties

Compound Name(E)-2-[(Z)-2-fluoroethenyl]-1-N-methylhept-2-ene-1,3-diamine
PubChem CID134493447
Molecular FormulaC10H19FN2
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Name(E)-2-[(Z)-2-fluoroethenyl]-1-N-methylhept-2-ene-1,3-diamine
SMILESCCCC/C(N)=C(/C=C\F)CNC
InChIInChI=1S/C10H19FN2/c1-3-4-5-10(12)9(6-7-11)8-13-2/h6-7,13H,3-5,8,12H2,1-2H3/b7-6-,10-9+
InChIKeyLVODLAJNPDDQCB-IXWMQOLASA-N
XLogP2.09
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E,6Z)-3-ethylidene-4-methylidene-5-propan-2-ylidene-N-(2,2,2-trifluoroethyl)nona-1,6,8-trien-2-amine
CID 88278299
(2E,4Z)-3-fluoro-N-methylnona-2,4-diene-1,9-diamine
CID 121336104
(3E)-N-(fluoromethyl)-4-pyrrolidin-2-ylhexa-3,5-dien-3-amine
CID 130325526
(3E,5Z,7Z)-3-ethylidene-N-(2-fluoroethyl)-5,7-dimethyl-4-methylidenenona-1,5,7-trien-2-amine
CID 130349581
(3Z)-3-ethyl-N-(2,2,2-trifluoroethyl)hepta-1,3-dien-4-amine
CID 130413491
2-ethyl-3-(1-fluoroethyl)-5-[(E)-prop-1-enyl]-1,2-dihydropyridine
CID 134448196
(Z)-3-(2-fluoro-6-methyl-1,2-dihydropyridin-5-yl)pent-3-en-1-amine
CID 134604072
(3Z)-N-ethyl-2-[[4-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]methyl]penta-1,3-dien-3-amine
CID 135269232
(3E)-2-N,4-N-dimethyl-3-(5,5,5-trifluoropentyl)penta-1,3-diene-2,4-diamine
CID 135269286
N'-[(Z,9S)-9-fluoro-4-methylidenedec-5-enyl]-N-methylpropane-1,3-diamine
CID 137402236
(1E,3E,5E)-8-N-[(2E)-2-ethenyl-4-fluoropenta-2,4-dienyl]-1-N,2,3,6-tetramethylnona-1,3,5,8-tetraene-1,8-diamine
CID 137465227
(3E,5Z)-5-ethyl-8-fluoro-4-N-methyl-4-N-[(E)-4-methylidenehex-1-enyl]octa-1,3,5-triene-2,4-diamine
CID 138563992

Frequently Asked Questions

What is the IUPAC name of (E)-2-[(Z)-2-fluoroethenyl]-1-N-methylhept-2-ene-1,3-diamine?
The IUPAC name of (E)-2-[(Z)-2-fluoroethenyl]-1-N-methylhept-2-ene-1,3-diamine (CID 134493447) is (E)-2-[(Z)-2-fluoroethenyl]-1-N-methylhept-2-ene-1,3-diamine.
What is the SMILES notation for (E)-2-[(Z)-2-fluoroethenyl]-1-N-methylhept-2-ene-1,3-diamine?
The canonical SMILES for (E)-2-[(Z)-2-fluoroethenyl]-1-N-methylhept-2-ene-1,3-diamine is CCCC/C(N)=C(/C=C\F)CNC.
What is the InChIKey of (E)-2-[(Z)-2-fluoroethenyl]-1-N-methylhept-2-ene-1,3-diamine?
The InChIKey is LVODLAJNPDDQCB-IXWMQOLASA-N. The full InChI is InChI=1S/C10H19FN2/c1-3-4-5-10(12)9(6-7-11)8-13-2/h6-7,13H,3-5,8,12H2,1-2H3/b7-6-,10-9+.
What are the key properties of (E)-2-[(Z)-2-fluoroethenyl]-1-N-methylhept-2-ene-1,3-diamine?
(E)-2-[(Z)-2-fluoroethenyl]-1-N-methylhept-2-ene-1,3-diamine has a molecular weight of 186.27 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(Z)-2-fluoroethenyl]-1-N-methylhept-2-ene-1,3-diamine is sourced from PubChem (CID 134493447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).