(2Z,4Z)-5-ethyl-2,3-difluoro-N-methylnona-2,4-dien-4-amine

C12H21F2N — CID 167200001

IUPAC(2Z,4Z)-5-ethyl-2,3-difluoro-N-methylnona-2,4-dien-4-amine
SMILESCCCC/C(CC)=C(NC)/C(F)=C(\C)F
InChIInChI=1S/C12H21F2N/c1-5-7-8-10(6-2)12(15-4)11(14)9(3)13/h15H,5-8H2,1-4H3/b11-9-,12-10-
InChIKeyQYNULXPSFONTJG-HWAYABPNSA-N
MW217.30 g/mol
LogP4.23
Rot. Bonds6

About (2Z,4Z)-5-ethyl-2,3-difluoro-N-methylnona-2,4-dien-4-amine

(2Z,4Z)-5-ethyl-2,3-difluoro-N-methylnona-2,4-dien-4-amine (PubChem CID 167200001) has the molecular formula C12H21F2N and a molecular weight of 217.30 g/mol. Its IUPAC name is (2Z,4Z)-5-ethyl-2,3-difluoro-N-methylnona-2,4-dien-4-amine.

Molecular Properties

Compound Name(2Z,4Z)-5-ethyl-2,3-difluoro-N-methylnona-2,4-dien-4-amine
PubChem CID167200001
Molecular FormulaC12H21F2N
Molecular Weight217.30 g/mol
Exact Mass217.16
IUPAC Name(2Z,4Z)-5-ethyl-2,3-difluoro-N-methylnona-2,4-dien-4-amine
SMILESCCCC/C(CC)=C(NC)/C(F)=C(\C)F
InChIInChI=1S/C12H21F2N/c1-5-7-8-10(6-2)12(15-4)11(14)9(3)13/h15H,5-8H2,1-4H3/b11-9-,12-10-
InChIKeyQYNULXPSFONTJG-HWAYABPNSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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)-5-ethyl-2,3-difluoro-N-methylnona-2,4-dien-4-amine?
The IUPAC name of (2Z,4Z)-5-ethyl-2,3-difluoro-N-methylnona-2,4-dien-4-amine (CID 167200001) is (2Z,4Z)-5-ethyl-2,3-difluoro-N-methylnona-2,4-dien-4-amine.
What is the SMILES notation for (2Z,4Z)-5-ethyl-2,3-difluoro-N-methylnona-2,4-dien-4-amine?
The canonical SMILES for (2Z,4Z)-5-ethyl-2,3-difluoro-N-methylnona-2,4-dien-4-amine is CCCC/C(CC)=C(NC)/C(F)=C(\C)F.
What is the InChIKey of (2Z,4Z)-5-ethyl-2,3-difluoro-N-methylnona-2,4-dien-4-amine?
The InChIKey is QYNULXPSFONTJG-HWAYABPNSA-N. The full InChI is InChI=1S/C12H21F2N/c1-5-7-8-10(6-2)12(15-4)11(14)9(3)13/h15H,5-8H2,1-4H3/b11-9-,12-10-.
What are the key properties of (2Z,4Z)-5-ethyl-2,3-difluoro-N-methylnona-2,4-dien-4-amine?
(2Z,4Z)-5-ethyl-2,3-difluoro-N-methylnona-2,4-dien-4-amine has a molecular weight of 217.30 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-5-ethyl-2,3-difluoro-N-methylnona-2,4-dien-4-amine is sourced from PubChem (CID 167200001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).