(4E)-7-chloro-N'-[2-(dipropylamino)ethyl]-2-ethenylimino-4-ethylideneoct-6-enimidamide

C20H35ClN4 — CID 174254350

IUPAC(4E)-7-chloro-N'-[2-(dipropylamino)ethyl]-2-ethenylimino-4-ethylideneoct-6-enimidamide
SMILESC=C/N=C(C/C(=C/C)CC=C(C)Cl)/C(N)=N/CCN(CCC)CCC
InChIInChI=1S/C20H35ClN4/c1-6-13-25(14-7-2)15-12-24-20(22)19(23-9-4)16-18(8-3)11-10-17(5)21/h8-10H,4,6-7,11-16H2,1-3,5H3,(H2,22,24)/b17-10?,18-8+,23-19+
InChIKeyUSGSNVXPPMQTKR-ZJNNDLKLSA-N
MW366.98 g/mol
LogP4.92
Rot. Bonds13

About (4E)-7-chloro-N'-[2-(dipropylamino)ethyl]-2-ethenylimino-4-ethylideneoct-6-enimidamide

(4E)-7-chloro-N'-[2-(dipropylamino)ethyl]-2-ethenylimino-4-ethylideneoct-6-enimidamide (PubChem CID 174254350) has the molecular formula C20H35ClN4 and a molecular weight of 366.98 g/mol. Its IUPAC name is (4E)-7-chloro-N'-[2-(dipropylamino)ethyl]-2-ethenylimino-4-ethylideneoct-6-enimidamide.

Molecular Properties

Compound Name(4E)-7-chloro-N'-[2-(dipropylamino)ethyl]-2-ethenylimino-4-ethylideneoct-6-enimidamide
PubChem CID174254350
Molecular FormulaC20H35ClN4
Molecular Weight366.98 g/mol
Exact Mass366.26
IUPAC Name(4E)-7-chloro-N'-[2-(dipropylamino)ethyl]-2-ethenylimino-4-ethylideneoct-6-enimidamide
SMILESC=C/N=C(C/C(=C/C)CC=C(C)Cl)/C(N)=N/CCN(CCC)CCC
InChIInChI=1S/C20H35ClN4/c1-6-13-25(14-7-2)15-12-24-20(22)19(23-9-4)16-18(8-3)11-10-17(5)21/h8-10H,4,6-7,11-16H2,1-3,5H3,(H2,22,24)/b17-10?,18-8+,23-19+
InChIKeyUSGSNVXPPMQTKR-ZJNNDLKLSA-N
XLogP4.92
TPSA53.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.98
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E)-7-chloro-N'-[2-(dipropylamino)ethyl]-2-ethenylimino-4-ethylideneoct-6-enimidamide?
The IUPAC name of (4E)-7-chloro-N'-[2-(dipropylamino)ethyl]-2-ethenylimino-4-ethylideneoct-6-enimidamide (CID 174254350) is (4E)-7-chloro-N'-[2-(dipropylamino)ethyl]-2-ethenylimino-4-ethylideneoct-6-enimidamide.
What is the SMILES notation for (4E)-7-chloro-N'-[2-(dipropylamino)ethyl]-2-ethenylimino-4-ethylideneoct-6-enimidamide?
The canonical SMILES for (4E)-7-chloro-N'-[2-(dipropylamino)ethyl]-2-ethenylimino-4-ethylideneoct-6-enimidamide is C=C/N=C(C/C(=C/C)CC=C(C)Cl)/C(N)=N/CCN(CCC)CCC.
What is the InChIKey of (4E)-7-chloro-N'-[2-(dipropylamino)ethyl]-2-ethenylimino-4-ethylideneoct-6-enimidamide?
The InChIKey is USGSNVXPPMQTKR-ZJNNDLKLSA-N. The full InChI is InChI=1S/C20H35ClN4/c1-6-13-25(14-7-2)15-12-24-20(22)19(23-9-4)16-18(8-3)11-10-17(5)21/h8-10H,4,6-7,11-16H2,1-3,5H3,(H2,22,24)/b17-10?,18-8+,23-19+.
What are the key properties of (4E)-7-chloro-N'-[2-(dipropylamino)ethyl]-2-ethenylimino-4-ethylideneoct-6-enimidamide?
(4E)-7-chloro-N'-[2-(dipropylamino)ethyl]-2-ethenylimino-4-ethylideneoct-6-enimidamide has a molecular weight of 366.98 g/mol, XLogP of 4.92, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-7-chloro-N'-[2-(dipropylamino)ethyl]-2-ethenylimino-4-ethylideneoct-6-enimidamide is sourced from PubChem (CID 174254350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).