(E)-N-[3-(ethylamino)propyl]-N'-[3-(propylamino)propyl]but-2-ene-1,4-diamine;tetrahydrochloride

C15H38Cl4N4 — CID 19956382

IUPAC(E)-N-[3-(ethylamino)propyl]-N'-[3-(propylamino)propyl]but-2-ene-1,4-diamine;tetrahydrochloride
SMILESCCCNCCCNC/C=C/CNCCCNCC.Cl.Cl.Cl.Cl
InChIInChI=1S/C15H34N4.4ClH/c1-3-9-17-13-8-15-19-11-6-5-10-18-14-7-12-16-4-2;;;;/h5-6,16-19H,3-4,7-15H2,1-2H3;4*1H/b6-5+;;;;
InChIKeyNOORXDZEYRRJDC-WPYDVODASA-N
MW416.31 g/mol
LogP2.80
Rot. Bonds15

About (E)-N-[3-(ethylamino)propyl]-N'-[3-(propylamino)propyl]but-2-ene-1,4-diamine;tetrahydrochloride

(E)-N-[3-(ethylamino)propyl]-N'-[3-(propylamino)propyl]but-2-ene-1,4-diamine;tetrahydrochloride (PubChem CID 19956382) has the molecular formula C15H38Cl4N4 and a molecular weight of 416.31 g/mol. Its IUPAC name is (E)-N-[3-(ethylamino)propyl]-N'-[3-(propylamino)propyl]but-2-ene-1,4-diamine;tetrahydrochloride.

Molecular Properties

Compound Name(E)-N-[3-(ethylamino)propyl]-N'-[3-(propylamino)propyl]but-2-ene-1,4-diamine;tetrahydrochloride
PubChem CID19956382
Molecular FormulaC15H38Cl4N4
Molecular Weight416.31 g/mol
Exact Mass414.19
IUPAC Name(E)-N-[3-(ethylamino)propyl]-N'-[3-(propylamino)propyl]but-2-ene-1,4-diamine;tetrahydrochloride
SMILESCCCNCCCNC/C=C/CNCCCNCC.Cl.Cl.Cl.Cl
InChIInChI=1S/C15H34N4.4ClH/c1-3-9-17-13-8-15-19-11-6-5-10-18-14-7-12-16-4-2;;;;/h5-6,16-19H,3-4,7-15H2,1-2H3;4*1H/b6-5+;;;;
InChIKeyNOORXDZEYRRJDC-WPYDVODASA-N
XLogP2.80
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.31
LogP ≤ 52.80
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'}

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Related Compounds

N-ethyl-N'-[4-[[(Z)-4-[4-(ethylamino)butylamino]but-2-enyl]amino]butyl]butane-1,4-diamine;pentahydrochloride
CID 52944190
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
N-ethyl-N'-propylbutane-1,4-diamine
CID 54079202
N'-[3-[3-(butylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine
CID 58965168
N-[2-(propylamino)ethyl]-N'-[2-[2-[2-[3-[2-(propylamino)ethylamino]propylamino]ethylamino]ethylamino]ethyl]propane-1,3-diamine
CID 21145819
N'-[2-[2-(butylamino)ethylamino]ethyl]-N-[2-(ethylamino)ethyl]propane-1,3-diamine
CID 25107796
N-ethyl-N'-[4-[4-(ethylamino)butylamino]butyl]pentane-1,5-diamine;N-ethyl-N'-[4-[3-(ethylamino)propylamino]butyl]butane-1,4-diamine;N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]butane-1,4-diamine
CID 159678925
N-ethyl-N'-hexadecylpropane-1,3-diamine
CID 46736046
N-ethyl-N'-octadecylpropane-1,3-diamine
CID 175605866
N,N'-bis[3-(ethylamino)propyl]pentane-1,5-diamine;tetrahydrobromide
CID 86261000
N'-[(Z)-4-[[(Z)-4-[[(Z)-5-(ethylamino)pent-2-enyl]amino]but-2-enyl]amino]but-2-enyl]-N-methylpentane-1,5-diamine
CID 138564613
N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine
CID 58260221

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(ethylamino)propyl]-N'-[3-(propylamino)propyl]but-2-ene-1,4-diamine;tetrahydrochloride?
The IUPAC name of (E)-N-[3-(ethylamino)propyl]-N'-[3-(propylamino)propyl]but-2-ene-1,4-diamine;tetrahydrochloride (CID 19956382) is (E)-N-[3-(ethylamino)propyl]-N'-[3-(propylamino)propyl]but-2-ene-1,4-diamine;tetrahydrochloride.
What is the SMILES notation for (E)-N-[3-(ethylamino)propyl]-N'-[3-(propylamino)propyl]but-2-ene-1,4-diamine;tetrahydrochloride?
The canonical SMILES for (E)-N-[3-(ethylamino)propyl]-N'-[3-(propylamino)propyl]but-2-ene-1,4-diamine;tetrahydrochloride is CCCNCCCNC/C=C/CNCCCNCC.Cl.Cl.Cl.Cl.
What is the InChIKey of (E)-N-[3-(ethylamino)propyl]-N'-[3-(propylamino)propyl]but-2-ene-1,4-diamine;tetrahydrochloride?
The InChIKey is NOORXDZEYRRJDC-WPYDVODASA-N. The full InChI is InChI=1S/C15H34N4.4ClH/c1-3-9-17-13-8-15-19-11-6-5-10-18-14-7-12-16-4-2;;;;/h5-6,16-19H,3-4,7-15H2,1-2H3;4*1H/b6-5+;;;;.
What are the key properties of (E)-N-[3-(ethylamino)propyl]-N'-[3-(propylamino)propyl]but-2-ene-1,4-diamine;tetrahydrochloride?
(E)-N-[3-(ethylamino)propyl]-N'-[3-(propylamino)propyl]but-2-ene-1,4-diamine;tetrahydrochloride has a molecular weight of 416.31 g/mol, XLogP of 2.80, 15 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(ethylamino)propyl]-N'-[3-(propylamino)propyl]but-2-ene-1,4-diamine;tetrahydrochloride is sourced from PubChem (CID 19956382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).