(2Z,4Z)-N-(2-ethylbutyl)-2,3-difluoro-N'-methylhexa-2,4-diene-1,6-diamine

C13H24F2N2 — CID 146550410

IUPAC(2Z,4Z)-N-(2-ethylbutyl)-2,3-difluoro-N'-methylhexa-2,4-diene-1,6-diamine
SMILESCCC(CC)CNC/C(F)=C(F)\C=C/CNC
InChIInChI=1S/C13H24F2N2/c1-4-11(5-2)9-17-10-13(15)12(14)7-6-8-16-3/h6-7,11,16-17H,4-5,8-10H2,1-3H3/b7-6-,13-12-
InChIKeyMAIIFQMQUARHHD-ASZCUJMBSA-N
MW246.34 g/mol
LogP2.94
Rot. Bonds9

About (2Z,4Z)-N-(2-ethylbutyl)-2,3-difluoro-N'-methylhexa-2,4-diene-1,6-diamine

(2Z,4Z)-N-(2-ethylbutyl)-2,3-difluoro-N'-methylhexa-2,4-diene-1,6-diamine (PubChem CID 146550410) has the molecular formula C13H24F2N2 and a molecular weight of 246.34 g/mol. Its IUPAC name is (2Z,4Z)-N-(2-ethylbutyl)-2,3-difluoro-N'-methylhexa-2,4-diene-1,6-diamine.

Molecular Properties

Compound Name(2Z,4Z)-N-(2-ethylbutyl)-2,3-difluoro-N'-methylhexa-2,4-diene-1,6-diamine
PubChem CID146550410
Molecular FormulaC13H24F2N2
Molecular Weight246.34 g/mol
Exact Mass246.19
IUPAC Name(2Z,4Z)-N-(2-ethylbutyl)-2,3-difluoro-N'-methylhexa-2,4-diene-1,6-diamine
SMILESCCC(CC)CNC/C(F)=C(F)\C=C/CNC
InChIInChI=1S/C13H24F2N2/c1-4-11(5-2)9-17-10-13(15)12(14)7-6-8-16-3/h6-7,11,16-17H,4-5,8-10H2,1-3H3/b7-6-,13-12-
InChIKeyMAIIFQMQUARHHD-ASZCUJMBSA-N
XLogP2.94
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.94
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 (2Z,4Z)-N-(2-ethylbutyl)-2,3-difluoro-N'-methylhexa-2,4-diene-1,6-diamine?
The IUPAC name of (2Z,4Z)-N-(2-ethylbutyl)-2,3-difluoro-N'-methylhexa-2,4-diene-1,6-diamine (CID 146550410) is (2Z,4Z)-N-(2-ethylbutyl)-2,3-difluoro-N'-methylhexa-2,4-diene-1,6-diamine.
What is the SMILES notation for (2Z,4Z)-N-(2-ethylbutyl)-2,3-difluoro-N'-methylhexa-2,4-diene-1,6-diamine?
The canonical SMILES for (2Z,4Z)-N-(2-ethylbutyl)-2,3-difluoro-N'-methylhexa-2,4-diene-1,6-diamine is CCC(CC)CNC/C(F)=C(F)\C=C/CNC.
What is the InChIKey of (2Z,4Z)-N-(2-ethylbutyl)-2,3-difluoro-N'-methylhexa-2,4-diene-1,6-diamine?
The InChIKey is MAIIFQMQUARHHD-ASZCUJMBSA-N. The full InChI is InChI=1S/C13H24F2N2/c1-4-11(5-2)9-17-10-13(15)12(14)7-6-8-16-3/h6-7,11,16-17H,4-5,8-10H2,1-3H3/b7-6-,13-12-.
What are the key properties of (2Z,4Z)-N-(2-ethylbutyl)-2,3-difluoro-N'-methylhexa-2,4-diene-1,6-diamine?
(2Z,4Z)-N-(2-ethylbutyl)-2,3-difluoro-N'-methylhexa-2,4-diene-1,6-diamine has a molecular weight of 246.34 g/mol, XLogP of 2.94, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-N-(2-ethylbutyl)-2,3-difluoro-N'-methylhexa-2,4-diene-1,6-diamine is sourced from PubChem (CID 146550410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).