(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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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).