(Z)-N,N'-dibutyl-N-[(E)-4-fluoro-2-methylidenebut-3-enyl]-4-methylpent-1-ene-1,5-diamine

C19H35FN2 — CID 89204482

IUPAC(Z)-N,N'-dibutyl-N-[(E)-4-fluoro-2-methylidenebut-3-enyl]-4-methylpent-1-ene-1,5-diamine
SMILESC=C(/C=C/F)CN(/C=C\CC(C)CNCCCC)CCCC
InChIInChI=1S/C19H35FN2/c1-5-7-13-21-16-18(3)10-9-15-22(14-8-6-2)17-19(4)11-12-20/h9,11-12,15,18,21H,4-8,10,13-14,16-17H2,1-3H3/b12-11+,15-9-
InChIKeyHWHAWEBWYNXZFC-FVAZDFEUSA-N
MW310.50 g/mol
LogP5.06
Rot. Bonds14

About (Z)-N,N'-dibutyl-N-[(E)-4-fluoro-2-methylidenebut-3-enyl]-4-methylpent-1-ene-1,5-diamine

(Z)-N,N'-dibutyl-N-[(E)-4-fluoro-2-methylidenebut-3-enyl]-4-methylpent-1-ene-1,5-diamine (PubChem CID 89204482) has the molecular formula C19H35FN2 and a molecular weight of 310.50 g/mol. Its IUPAC name is (Z)-N,N'-dibutyl-N-[(E)-4-fluoro-2-methylidenebut-3-enyl]-4-methylpent-1-ene-1,5-diamine.

Molecular Properties

Compound Name(Z)-N,N'-dibutyl-N-[(E)-4-fluoro-2-methylidenebut-3-enyl]-4-methylpent-1-ene-1,5-diamine
PubChem CID89204482
Molecular FormulaC19H35FN2
Molecular Weight310.50 g/mol
Exact Mass310.28
IUPAC Name(Z)-N,N'-dibutyl-N-[(E)-4-fluoro-2-methylidenebut-3-enyl]-4-methylpent-1-ene-1,5-diamine
SMILESC=C(/C=C/F)CN(/C=C\CC(C)CNCCCC)CCCC
InChIInChI=1S/C19H35FN2/c1-5-7-13-21-16-18(3)10-9-15-22(14-8-6-2)17-19(4)11-12-20/h9,11-12,15,18,21H,4-8,10,13-14,16-17H2,1-3H3/b12-11+,15-9-
InChIKeyHWHAWEBWYNXZFC-FVAZDFEUSA-N
XLogP5.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.50
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N,N'-dibutyl-N-[(E)-4-fluoro-2-methylidenebut-3-enyl]-4-methylpent-1-ene-1,5-diamine?
The IUPAC name of (Z)-N,N'-dibutyl-N-[(E)-4-fluoro-2-methylidenebut-3-enyl]-4-methylpent-1-ene-1,5-diamine (CID 89204482) is (Z)-N,N'-dibutyl-N-[(E)-4-fluoro-2-methylidenebut-3-enyl]-4-methylpent-1-ene-1,5-diamine.
What is the SMILES notation for (Z)-N,N'-dibutyl-N-[(E)-4-fluoro-2-methylidenebut-3-enyl]-4-methylpent-1-ene-1,5-diamine?
The canonical SMILES for (Z)-N,N'-dibutyl-N-[(E)-4-fluoro-2-methylidenebut-3-enyl]-4-methylpent-1-ene-1,5-diamine is C=C(/C=C/F)CN(/C=C\CC(C)CNCCCC)CCCC.
What is the InChIKey of (Z)-N,N'-dibutyl-N-[(E)-4-fluoro-2-methylidenebut-3-enyl]-4-methylpent-1-ene-1,5-diamine?
The InChIKey is HWHAWEBWYNXZFC-FVAZDFEUSA-N. The full InChI is InChI=1S/C19H35FN2/c1-5-7-13-21-16-18(3)10-9-15-22(14-8-6-2)17-19(4)11-12-20/h9,11-12,15,18,21H,4-8,10,13-14,16-17H2,1-3H3/b12-11+,15-9-.
What are the key properties of (Z)-N,N'-dibutyl-N-[(E)-4-fluoro-2-methylidenebut-3-enyl]-4-methylpent-1-ene-1,5-diamine?
(Z)-N,N'-dibutyl-N-[(E)-4-fluoro-2-methylidenebut-3-enyl]-4-methylpent-1-ene-1,5-diamine has a molecular weight of 310.50 g/mol, XLogP of 5.06, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N'-dibutyl-N-[(E)-4-fluoro-2-methylidenebut-3-enyl]-4-methylpent-1-ene-1,5-diamine is sourced from PubChem (CID 89204482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).