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

C16H36N4 — CID 6476689

IUPACN-ethyl-N'-[4-[[(Z)-4-(ethylamino)but-2-enyl]amino]butyl]butane-1,4-diamine
SMILESCCNC/C=C\CNCCCCNCCCCNCC
InChIInChI=1S/C16H36N4/c1-3-17-11-5-7-13-19-15-9-10-16-20-14-8-6-12-18-4-2/h5,7,17-20H,3-4,6,8-16H2,1-2H3/b7-5-
InChIKeyVTDFRAAMMVKEDF-ALCCZGGFSA-N
MW284.49 g/mol
LogP1.50
Rot. Bonds16

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

N-ethyl-N'-[4-[[(Z)-4-(ethylamino)but-2-enyl]amino]butyl]butane-1,4-diamine (PubChem CID 6476689) has the molecular formula C16H36N4 and a molecular weight of 284.49 g/mol. Its IUPAC name is N-ethyl-N'-[4-[[(Z)-4-(ethylamino)but-2-enyl]amino]butyl]butane-1,4-diamine.

Molecular Properties

Compound NameN-ethyl-N'-[4-[[(Z)-4-(ethylamino)but-2-enyl]amino]butyl]butane-1,4-diamine
PubChem CID6476689
Molecular FormulaC16H36N4
Molecular Weight284.49 g/mol
Exact Mass284.29
IUPAC NameN-ethyl-N'-[4-[[(Z)-4-(ethylamino)but-2-enyl]amino]butyl]butane-1,4-diamine
SMILESCCNC/C=C\CNCCCCNCCCCNCC
InChIInChI=1S/C16H36N4/c1-3-17-11-5-7-13-19-15-9-10-16-20-14-8-6-12-18-4-2/h5,7,17-20H,3-4,6,8-16H2,1-2H3/b7-5-
InChIKeyVTDFRAAMMVKEDF-ALCCZGGFSA-N
XLogP1.50
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Related Compounds

Cgc-11047
CID 9822383
2-Butene-1,4-diamine, N1,N4-diethyl-
CID 5369081
N'-[(Z)-4-(ethylamino)but-2-enyl]-N-[4-[[(Z)-4-(ethylamino)but-2-enyl]amino]butyl]butane-1,4-diamine
CID 6476696
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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[4-[[(Z)-4-(ethylamino)but-2-enyl]amino]butyl]butane-1,4-diamine?
The IUPAC name of N-ethyl-N'-[4-[[(Z)-4-(ethylamino)but-2-enyl]amino]butyl]butane-1,4-diamine (CID 6476689) is N-ethyl-N'-[4-[[(Z)-4-(ethylamino)but-2-enyl]amino]butyl]butane-1,4-diamine.
What is the SMILES notation for N-ethyl-N'-[4-[[(Z)-4-(ethylamino)but-2-enyl]amino]butyl]butane-1,4-diamine?
The canonical SMILES for N-ethyl-N'-[4-[[(Z)-4-(ethylamino)but-2-enyl]amino]butyl]butane-1,4-diamine is CCNC/C=C\CNCCCCNCCCCNCC.
What is the InChIKey of N-ethyl-N'-[4-[[(Z)-4-(ethylamino)but-2-enyl]amino]butyl]butane-1,4-diamine?
The InChIKey is VTDFRAAMMVKEDF-ALCCZGGFSA-N. The full InChI is InChI=1S/C16H36N4/c1-3-17-11-5-7-13-19-15-9-10-16-20-14-8-6-12-18-4-2/h5,7,17-20H,3-4,6,8-16H2,1-2H3/b7-5-.
What are the key properties of N-ethyl-N'-[4-[[(Z)-4-(ethylamino)but-2-enyl]amino]butyl]butane-1,4-diamine?
N-ethyl-N'-[4-[[(Z)-4-(ethylamino)but-2-enyl]amino]butyl]butane-1,4-diamine has a molecular weight of 284.49 g/mol, XLogP of 1.50, 16 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[4-[[(Z)-4-(ethylamino)but-2-enyl]amino]butyl]butane-1,4-diamine is sourced from PubChem (CID 6476689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).