N'-[(Z)-4-(ethylamino)but-2-enyl]-N-[4-[[(Z)-4-(ethylamino)but-2-enyl]amino]butyl]butane-1,4-diamine

C20H43N5 — CID 6476696

IUPACN'-[(Z)-4-(ethylamino)but-2-enyl]-N-[4-[[(Z)-4-(ethylamino)but-2-enyl]amino]butyl]butane-1,4-diamine
SMILESCCNC/C=C\CNCCCCNCCCCNC/C=C\CNCC
InChIInChI=1S/C20H43N5/c1-3-21-13-5-7-15-23-17-9-11-19-25-20-12-10-18-24-16-8-6-14-22-4-2/h5-8,21-25H,3-4,9-20H2,1-2H3/b7-5-,8-6-
InChIKeyKJAAEKQTENJMDT-SFECMWDFSA-N
MW353.60 g/mol
LogP1.65
Rot. Bonds20

About N'-[(Z)-4-(ethylamino)but-2-enyl]-N-[4-[[(Z)-4-(ethylamino)but-2-enyl]amino]butyl]butane-1,4-diamine

N'-[(Z)-4-(ethylamino)but-2-enyl]-N-[4-[[(Z)-4-(ethylamino)but-2-enyl]amino]butyl]butane-1,4-diamine (PubChem CID 6476696) has the molecular formula C20H43N5 and a molecular weight of 353.60 g/mol. Its IUPAC name is N'-[(Z)-4-(ethylamino)but-2-enyl]-N-[4-[[(Z)-4-(ethylamino)but-2-enyl]amino]butyl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-[(Z)-4-(ethylamino)but-2-enyl]-N-[4-[[(Z)-4-(ethylamino)but-2-enyl]amino]butyl]butane-1,4-diamine
PubChem CID6476696
Molecular FormulaC20H43N5
Molecular Weight353.60 g/mol
Exact Mass353.35
IUPAC NameN'-[(Z)-4-(ethylamino)but-2-enyl]-N-[4-[[(Z)-4-(ethylamino)but-2-enyl]amino]butyl]butane-1,4-diamine
SMILESCCNC/C=C\CNCCCCNCCCCNC/C=C\CNCC
InChIInChI=1S/C20H43N5/c1-3-21-13-5-7-15-23-17-9-11-19-25-20-12-10-18-24-16-8-6-14-22-4-2/h5-8,21-25H,3-4,9-20H2,1-2H3/b7-5-,8-6-
InChIKeyKJAAEKQTENJMDT-SFECMWDFSA-N
XLogP1.65
TPSA60.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.60
LogP ≤ 51.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[(Z)-4-(ethylamino)but-2-enyl]-N-[4-[[(Z)-4-(ethylamino)but-2-enyl]amino]butyl]butane-1,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

Cgc-11047
CID 9822383
2-Butene-1,4-diamine, N1,N4-diethyl-
CID 5369081
N-ethyl-N'-[4-[4-[[(E)-4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]but-2-enyl]amino]butylamino]butyl]butane-1,4-diamine
CID 6476699
N-ethyl-N'-[4-[4-[4-[[(E)-4-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]but-2-enyl]amino]butylamino]butylamino]butyl]butane-1,4-diamine
CID 6476700
(E)-N,N'-bis[3-(ethylamino)propyl]but-2-ene-1,4-diamine
CID 6532281
(Z)-N-ethyl-N'-[(Z)-4-[[(Z)-4-[[(Z)-4-(ethylamino)but-2-enyl]amino]but-2-enyl]amino]but-2-enyl]but-2-ene-1,4-diamine;pentahydrochloride
CID 9828462
N-ethyl-N'-[(Z)-4-[[(Z)-4-(ethylamino)but-2-enyl]amino]but-2-enyl]butane-1,4-diamine;tetrahydrochloride
CID 49860835
N-ethyl-N'-[4-[[(Z)-4-(ethylamino)but-2-enyl]amino]butyl]butane-1,4-diamine;tetrahydrochloride
CID 49860837
N-ethyl-N'-[4-[[(Z)-4-[[(Z)-4-(ethylamino)but-2-enyl]amino]but-2-enyl]amino]butyl]butane-1,4-diamine;pentahydrochloride
CID 52941776
N-ethyl-N'-[(Z)-4-[4-[[(Z)-4-(ethylamino)but-2-enyl]amino]butylamino]but-2-enyl]butane-1,4-diamine;pentahydrochloride
CID 52942998
N-ethyl-N'-[4-[[(Z)-4-[4-(ethylamino)butylamino]but-2-enyl]amino]butyl]butane-1,4-diamine;pentahydrochloride
CID 52944190
N-[(Z)-4-(ethylamino)but-2-enyl]-N'-[(Z)-4-[[(Z)-4-(ethylamino)but-2-enyl]amino]but-2-enyl]butane-1,4-diamine;pentahydrochloride
CID 52945416

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-4-(ethylamino)but-2-enyl]-N-[4-[[(Z)-4-(ethylamino)but-2-enyl]amino]butyl]butane-1,4-diamine?
The IUPAC name of N'-[(Z)-4-(ethylamino)but-2-enyl]-N-[4-[[(Z)-4-(ethylamino)but-2-enyl]amino]butyl]butane-1,4-diamine (CID 6476696) is N'-[(Z)-4-(ethylamino)but-2-enyl]-N-[4-[[(Z)-4-(ethylamino)but-2-enyl]amino]butyl]butane-1,4-diamine.
What is the SMILES notation for N'-[(Z)-4-(ethylamino)but-2-enyl]-N-[4-[[(Z)-4-(ethylamino)but-2-enyl]amino]butyl]butane-1,4-diamine?
The canonical SMILES for N'-[(Z)-4-(ethylamino)but-2-enyl]-N-[4-[[(Z)-4-(ethylamino)but-2-enyl]amino]butyl]butane-1,4-diamine is CCNC/C=C\CNCCCCNCCCCNC/C=C\CNCC.
What is the InChIKey of N'-[(Z)-4-(ethylamino)but-2-enyl]-N-[4-[[(Z)-4-(ethylamino)but-2-enyl]amino]butyl]butane-1,4-diamine?
The InChIKey is KJAAEKQTENJMDT-SFECMWDFSA-N. The full InChI is InChI=1S/C20H43N5/c1-3-21-13-5-7-15-23-17-9-11-19-25-20-12-10-18-24-16-8-6-14-22-4-2/h5-8,21-25H,3-4,9-20H2,1-2H3/b7-5-,8-6-.
What are the key properties of N'-[(Z)-4-(ethylamino)but-2-enyl]-N-[4-[[(Z)-4-(ethylamino)but-2-enyl]amino]butyl]butane-1,4-diamine?
N'-[(Z)-4-(ethylamino)but-2-enyl]-N-[4-[[(Z)-4-(ethylamino)but-2-enyl]amino]butyl]butane-1,4-diamine has a molecular weight of 353.60 g/mol, XLogP of 1.65, 20 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-4-(ethylamino)but-2-enyl]-N-[4-[[(Z)-4-(ethylamino)but-2-enyl]amino]butyl]butane-1,4-diamine is sourced from PubChem (CID 6476696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).