(Z)-N'-ethyl-2-[(3Z)-3-fluoro-8-methylundeca-1,3-dien-4-yl]-N-methylprop-1-ene-1,3-diamine

C18H33FN2 — CID 139439665

IUPAC(Z)-N'-ethyl-2-[(3Z)-3-fluoro-8-methylundeca-1,3-dien-4-yl]-N-methylprop-1-ene-1,3-diamine
SMILESC=C/C(F)=C(CCCC(C)CCC)/C(=C/NC)CNCC
InChIInChI=1S/C18H33FN2/c1-6-10-15(4)11-9-12-17(18(19)7-2)16(13-20-5)14-21-8-3/h7,13,15,20-21H,2,6,8-12,14H2,1,3-5H3/b16-13+,18-17-
InChIKeyGPIHXGIJZMSXCA-XJQDBPQSSA-N
MW296.47 g/mol
LogP4.72
Rot. Bonds12

About (Z)-N'-ethyl-2-[(3Z)-3-fluoro-8-methylundeca-1,3-dien-4-yl]-N-methylprop-1-ene-1,3-diamine

(Z)-N'-ethyl-2-[(3Z)-3-fluoro-8-methylundeca-1,3-dien-4-yl]-N-methylprop-1-ene-1,3-diamine (PubChem CID 139439665) has the molecular formula C18H33FN2 and a molecular weight of 296.47 g/mol. Its IUPAC name is (Z)-N'-ethyl-2-[(3Z)-3-fluoro-8-methylundeca-1,3-dien-4-yl]-N-methylprop-1-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-N'-ethyl-2-[(3Z)-3-fluoro-8-methylundeca-1,3-dien-4-yl]-N-methylprop-1-ene-1,3-diamine
PubChem CID139439665
Molecular FormulaC18H33FN2
Molecular Weight296.47 g/mol
Exact Mass296.26
IUPAC Name(Z)-N'-ethyl-2-[(3Z)-3-fluoro-8-methylundeca-1,3-dien-4-yl]-N-methylprop-1-ene-1,3-diamine
SMILESC=C/C(F)=C(CCCC(C)CCC)/C(=C/NC)CNCC
InChIInChI=1S/C18H33FN2/c1-6-10-15(4)11-9-12-17(18(19)7-2)16(13-20-5)14-21-8-3/h7,13,15,20-21H,2,6,8-12,14H2,1,3-5H3/b16-13+,18-17-
InChIKeyGPIHXGIJZMSXCA-XJQDBPQSSA-N
XLogP4.72
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.47
LogP ≤ 54.72
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 (Z)-N'-ethyl-2-[(3Z)-3-fluoro-8-methylundeca-1,3-dien-4-yl]-N-methylprop-1-ene-1,3-diamine?
The IUPAC name of (Z)-N'-ethyl-2-[(3Z)-3-fluoro-8-methylundeca-1,3-dien-4-yl]-N-methylprop-1-ene-1,3-diamine (CID 139439665) is (Z)-N'-ethyl-2-[(3Z)-3-fluoro-8-methylundeca-1,3-dien-4-yl]-N-methylprop-1-ene-1,3-diamine.
What is the SMILES notation for (Z)-N'-ethyl-2-[(3Z)-3-fluoro-8-methylundeca-1,3-dien-4-yl]-N-methylprop-1-ene-1,3-diamine?
The canonical SMILES for (Z)-N'-ethyl-2-[(3Z)-3-fluoro-8-methylundeca-1,3-dien-4-yl]-N-methylprop-1-ene-1,3-diamine is C=C/C(F)=C(CCCC(C)CCC)/C(=C/NC)CNCC.
What is the InChIKey of (Z)-N'-ethyl-2-[(3Z)-3-fluoro-8-methylundeca-1,3-dien-4-yl]-N-methylprop-1-ene-1,3-diamine?
The InChIKey is GPIHXGIJZMSXCA-XJQDBPQSSA-N. The full InChI is InChI=1S/C18H33FN2/c1-6-10-15(4)11-9-12-17(18(19)7-2)16(13-20-5)14-21-8-3/h7,13,15,20-21H,2,6,8-12,14H2,1,3-5H3/b16-13+,18-17-.
What are the key properties of (Z)-N'-ethyl-2-[(3Z)-3-fluoro-8-methylundeca-1,3-dien-4-yl]-N-methylprop-1-ene-1,3-diamine?
(Z)-N'-ethyl-2-[(3Z)-3-fluoro-8-methylundeca-1,3-dien-4-yl]-N-methylprop-1-ene-1,3-diamine has a molecular weight of 296.47 g/mol, XLogP of 4.72, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-ethyl-2-[(3Z)-3-fluoro-8-methylundeca-1,3-dien-4-yl]-N-methylprop-1-ene-1,3-diamine is sourced from PubChem (CID 139439665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).