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

C16H34N4 — CID 6476690

IUPACN-ethyl-N'-[(Z)-4-[[(Z)-4-(ethylamino)but-2-enyl]amino]but-2-enyl]butane-1,4-diamine
SMILESCCNC/C=C\CNC/C=C\CNCCCCNCC
InChIInChI=1S/C16H34N4/c1-3-17-11-5-7-13-19-15-9-10-16-20-14-8-6-12-18-4-2/h5,7,9-10,17-20H,3-4,6,8,11-16H2,1-2H3/b7-5-,10-9-
InChIKeyVJMRSSNASGXTNM-XGOROQTFSA-N
MW282.48 g/mol
LogP1.28
Rot. Bonds15

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

N-ethyl-N'-[(Z)-4-[[(Z)-4-(ethylamino)but-2-enyl]amino]but-2-enyl]butane-1,4-diamine (PubChem CID 6476690) has the molecular formula C16H34N4 and a molecular weight of 282.48 g/mol. Its IUPAC name is N-ethyl-N'-[(Z)-4-[[(Z)-4-(ethylamino)but-2-enyl]amino]but-2-enyl]butane-1,4-diamine.

Molecular Properties

Compound NameN-ethyl-N'-[(Z)-4-[[(Z)-4-(ethylamino)but-2-enyl]amino]but-2-enyl]butane-1,4-diamine
PubChem CID6476690
Molecular FormulaC16H34N4
Molecular Weight282.48 g/mol
Exact Mass282.28
IUPAC NameN-ethyl-N'-[(Z)-4-[[(Z)-4-(ethylamino)but-2-enyl]amino]but-2-enyl]butane-1,4-diamine
SMILESCCNC/C=C\CNC/C=C\CNCCCCNCC
InChIInChI=1S/C16H34N4/c1-3-17-11-5-7-13-19-15-9-10-16-20-14-8-6-12-18-4-2/h5,7,9-10,17-20H,3-4,6,8,11-16H2,1-2H3/b7-5-,10-9-
InChIKeyVJMRSSNASGXTNM-XGOROQTFSA-N
XLogP1.28
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 51.28
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'-[(Z)-4-[[(Z)-4-(ethylamino)but-2-enyl]amino]but-2-enyl]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'-[(Z)-4-[[(Z)-4-(ethylamino)but-2-enyl]amino]but-2-enyl]butane-1,4-diamine?
The IUPAC name of N-ethyl-N'-[(Z)-4-[[(Z)-4-(ethylamino)but-2-enyl]amino]but-2-enyl]butane-1,4-diamine (CID 6476690) is N-ethyl-N'-[(Z)-4-[[(Z)-4-(ethylamino)but-2-enyl]amino]but-2-enyl]butane-1,4-diamine.
What is the SMILES notation for N-ethyl-N'-[(Z)-4-[[(Z)-4-(ethylamino)but-2-enyl]amino]but-2-enyl]butane-1,4-diamine?
The canonical SMILES for N-ethyl-N'-[(Z)-4-[[(Z)-4-(ethylamino)but-2-enyl]amino]but-2-enyl]butane-1,4-diamine is CCNC/C=C\CNC/C=C\CNCCCCNCC.
What is the InChIKey of N-ethyl-N'-[(Z)-4-[[(Z)-4-(ethylamino)but-2-enyl]amino]but-2-enyl]butane-1,4-diamine?
The InChIKey is VJMRSSNASGXTNM-XGOROQTFSA-N. The full InChI is InChI=1S/C16H34N4/c1-3-17-11-5-7-13-19-15-9-10-16-20-14-8-6-12-18-4-2/h5,7,9-10,17-20H,3-4,6,8,11-16H2,1-2H3/b7-5-,10-9-.
What are the key properties of N-ethyl-N'-[(Z)-4-[[(Z)-4-(ethylamino)but-2-enyl]amino]but-2-enyl]butane-1,4-diamine?
N-ethyl-N'-[(Z)-4-[[(Z)-4-(ethylamino)but-2-enyl]amino]but-2-enyl]butane-1,4-diamine has a molecular weight of 282.48 g/mol, XLogP of 1.28, 15 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(Z)-4-[[(Z)-4-(ethylamino)but-2-enyl]amino]but-2-enyl]butane-1,4-diamine is sourced from PubChem (CID 6476690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).