(Z,3Z)-3-(1-fluoroprop-2-enylidene)-N'-methyl-N'-propylbut-1-ene-1,4-diamine

C11H19FN2 — CID 122609907

IUPAC(Z,3Z)-3-(1-fluoroprop-2-enylidene)-N'-methyl-N'-propylbut-1-ene-1,4-diamine
SMILESC=C/C(F)=C(\C=C/N)CN(C)CCC
InChIInChI=1S/C11H19FN2/c1-4-8-14(3)9-10(6-7-13)11(12)5-2/h5-7H,2,4,8-9,13H2,1,3H3/b7-6-,11-10-
InChIKeyJZKGNFNVXPQTRZ-QOXWLJPHSA-N
MW198.28 g/mol
LogP2.21
Rot. Bonds6

About (Z,3Z)-3-(1-fluoroprop-2-enylidene)-N'-methyl-N'-propylbut-1-ene-1,4-diamine

(Z,3Z)-3-(1-fluoroprop-2-enylidene)-N'-methyl-N'-propylbut-1-ene-1,4-diamine (PubChem CID 122609907) has the molecular formula C11H19FN2 and a molecular weight of 198.28 g/mol. Its IUPAC name is (Z,3Z)-3-(1-fluoroprop-2-enylidene)-N'-methyl-N'-propylbut-1-ene-1,4-diamine.

Molecular Properties

Compound Name(Z,3Z)-3-(1-fluoroprop-2-enylidene)-N'-methyl-N'-propylbut-1-ene-1,4-diamine
PubChem CID122609907
Molecular FormulaC11H19FN2
Molecular Weight198.28 g/mol
Exact Mass198.15
IUPAC Name(Z,3Z)-3-(1-fluoroprop-2-enylidene)-N'-methyl-N'-propylbut-1-ene-1,4-diamine
SMILESC=C/C(F)=C(\C=C/N)CN(C)CCC
InChIInChI=1S/C11H19FN2/c1-4-8-14(3)9-10(6-7-13)11(12)5-2/h5-7H,2,4,8-9,13H2,1,3H3/b7-6-,11-10-
InChIKeyJZKGNFNVXPQTRZ-QOXWLJPHSA-N
XLogP2.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
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 (Z,3Z)-3-(1-fluoroprop-2-enylidene)-N'-methyl-N'-propylbut-1-ene-1,4-diamine?
The IUPAC name of (Z,3Z)-3-(1-fluoroprop-2-enylidene)-N'-methyl-N'-propylbut-1-ene-1,4-diamine (CID 122609907) is (Z,3Z)-3-(1-fluoroprop-2-enylidene)-N'-methyl-N'-propylbut-1-ene-1,4-diamine.
What is the SMILES notation for (Z,3Z)-3-(1-fluoroprop-2-enylidene)-N'-methyl-N'-propylbut-1-ene-1,4-diamine?
The canonical SMILES for (Z,3Z)-3-(1-fluoroprop-2-enylidene)-N'-methyl-N'-propylbut-1-ene-1,4-diamine is C=C/C(F)=C(\C=C/N)CN(C)CCC.
What is the InChIKey of (Z,3Z)-3-(1-fluoroprop-2-enylidene)-N'-methyl-N'-propylbut-1-ene-1,4-diamine?
The InChIKey is JZKGNFNVXPQTRZ-QOXWLJPHSA-N. The full InChI is InChI=1S/C11H19FN2/c1-4-8-14(3)9-10(6-7-13)11(12)5-2/h5-7H,2,4,8-9,13H2,1,3H3/b7-6-,11-10-.
What are the key properties of (Z,3Z)-3-(1-fluoroprop-2-enylidene)-N'-methyl-N'-propylbut-1-ene-1,4-diamine?
(Z,3Z)-3-(1-fluoroprop-2-enylidene)-N'-methyl-N'-propylbut-1-ene-1,4-diamine has a molecular weight of 198.28 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3Z)-3-(1-fluoroprop-2-enylidene)-N'-methyl-N'-propylbut-1-ene-1,4-diamine is sourced from PubChem (CID 122609907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).