(2Z,4E)-N-fluoro-N-methyl-4-[1-(methylideneamino)ethyl]hexa-2,4-dien-1-amine

C10H17FN2 — CID 142913365

IUPAC(2Z,4E)-N-fluoro-N-methyl-4-[1-(methylideneamino)ethyl]hexa-2,4-dien-1-amine
SMILESC=NC(C)C(/C=C\CN(C)F)=C/C
InChIInChI=1S/C10H17FN2/c1-5-10(9(2)12-3)7-6-8-13(4)11/h5-7,9H,3,8H2,1-2,4H3/b7-6-,10-5+
InChIKeyKRJXLOVBFANMOQ-JQEGGOPCSA-N
MW184.26 g/mol
LogP2.39
Rot. Bonds5

About (2Z,4E)-N-fluoro-N-methyl-4-[1-(methylideneamino)ethyl]hexa-2,4-dien-1-amine

(2Z,4E)-N-fluoro-N-methyl-4-[1-(methylideneamino)ethyl]hexa-2,4-dien-1-amine (PubChem CID 142913365) has the molecular formula C10H17FN2 and a molecular weight of 184.26 g/mol. Its IUPAC name is (2Z,4E)-N-fluoro-N-methyl-4-[1-(methylideneamino)ethyl]hexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z,4E)-N-fluoro-N-methyl-4-[1-(methylideneamino)ethyl]hexa-2,4-dien-1-amine
PubChem CID142913365
Molecular FormulaC10H17FN2
Molecular Weight184.26 g/mol
Exact Mass184.14
IUPAC Name(2Z,4E)-N-fluoro-N-methyl-4-[1-(methylideneamino)ethyl]hexa-2,4-dien-1-amine
SMILESC=NC(C)C(/C=C\CN(C)F)=C/C
InChIInChI=1S/C10H17FN2/c1-5-10(9(2)12-3)7-6-8-13(4)11/h5-7,9H,3,8H2,1-2,4H3/b7-6-,10-5+
InChIKeyKRJXLOVBFANMOQ-JQEGGOPCSA-N
XLogP2.39
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-N-fluoro-N-methyl-4-[1-(methylideneamino)ethyl]hexa-2,4-dien-1-amine?
The IUPAC name of (2Z,4E)-N-fluoro-N-methyl-4-[1-(methylideneamino)ethyl]hexa-2,4-dien-1-amine (CID 142913365) is (2Z,4E)-N-fluoro-N-methyl-4-[1-(methylideneamino)ethyl]hexa-2,4-dien-1-amine.
What is the SMILES notation for (2Z,4E)-N-fluoro-N-methyl-4-[1-(methylideneamino)ethyl]hexa-2,4-dien-1-amine?
The canonical SMILES for (2Z,4E)-N-fluoro-N-methyl-4-[1-(methylideneamino)ethyl]hexa-2,4-dien-1-amine is C=NC(C)C(/C=C\CN(C)F)=C/C.
What is the InChIKey of (2Z,4E)-N-fluoro-N-methyl-4-[1-(methylideneamino)ethyl]hexa-2,4-dien-1-amine?
The InChIKey is KRJXLOVBFANMOQ-JQEGGOPCSA-N. The full InChI is InChI=1S/C10H17FN2/c1-5-10(9(2)12-3)7-6-8-13(4)11/h5-7,9H,3,8H2,1-2,4H3/b7-6-,10-5+.
What are the key properties of (2Z,4E)-N-fluoro-N-methyl-4-[1-(methylideneamino)ethyl]hexa-2,4-dien-1-amine?
(2Z,4E)-N-fluoro-N-methyl-4-[1-(methylideneamino)ethyl]hexa-2,4-dien-1-amine has a molecular weight of 184.26 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N-fluoro-N-methyl-4-[1-(methylideneamino)ethyl]hexa-2,4-dien-1-amine is sourced from PubChem (CID 142913365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).