2-[[(E)-4-[2-(2-aminoethylimino)ethylamino]but-3-en-2-yl]amino]ethylazanium

C10H24N5+ — CID 142380027

IUPAC2-[[(E)-4-[2-(2-aminoethylimino)ethylamino]but-3-en-2-yl]amino]ethylazanium
SMILESCC(/C=C/NC/C=N/CCN)NCC[NH3+]
InChIInChI=1S/C10H23N5/c1-10(15-7-4-12)2-5-13-8-9-14-6-3-11/h2,5,9-10,13,15H,3-4,6-8,11-12H2,1H3/p+1/b5-2+,14-9+
InChIKeyVSSDUJQDXTUJMP-FTCPZNPOSA-O
MW214.34 g/mol
LogP-1.66
Rot. Bonds9

About 2-[[(E)-4-[2-(2-aminoethylimino)ethylamino]but-3-en-2-yl]amino]ethylazanium

2-[[(E)-4-[2-(2-aminoethylimino)ethylamino]but-3-en-2-yl]amino]ethylazanium (PubChem CID 142380027) has the molecular formula C10H24N5+ and a molecular weight of 214.34 g/mol. Its IUPAC name is 2-[[(E)-4-[2-(2-aminoethylimino)ethylamino]but-3-en-2-yl]amino]ethylazanium.

Molecular Properties

Compound Name2-[[(E)-4-[2-(2-aminoethylimino)ethylamino]but-3-en-2-yl]amino]ethylazanium
PubChem CID142380027
Molecular FormulaC10H24N5+
Molecular Weight214.34 g/mol
Exact Mass214.20
IUPAC Name2-[[(E)-4-[2-(2-aminoethylimino)ethylamino]but-3-en-2-yl]amino]ethylazanium
SMILESCC(/C=C/NC/C=N/CCN)NCC[NH3+]
InChIInChI=1S/C10H23N5/c1-10(15-7-4-12)2-5-13-8-9-14-6-3-11/h2,5,9-10,13,15H,3-4,6-8,11-12H2,1H3/p+1/b5-2+,14-9+
InChIKeyVSSDUJQDXTUJMP-FTCPZNPOSA-O
XLogP-1.66
TPSA90.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.34
LogP ≤ 5-1.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[(E)-4-[2-(2-aminoethylimino)ethylamino]but-3-en-2-yl]amino]ethylazanium with MolForge

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Related Compounds

(2R,3R,11R,12R,15Z)-2,3,11,12-tetramethyl-1,4,7,10,13-pentazacyclohexadeca-13,15-diene
CID 59529658
(2S,12S,15Z)-2,12-dimethyl-1,4,7,10,13-pentazacyclohexadeca-13,15-diene
CID 59529660
(15Z)-1,4,7,10,13-pentazacyclohexadeca-13,15-diene
CID 59529661
N-ethyl-3-(methylideneamino)-3,4-dihydropyridin-4-amine
CID 68074365
(Z)-3-[3-(4-methylpiperazin-1-yl)but-1-en-2-ylimino]prop-1-en-1-amine
CID 68396661
1,4,7,10,13-Pentazacyclohexadeca-13,15-diene
CID 72317546
(1Z)-1-(ethylideneamino)-N-methylpenta-1,4-dien-3-amine
CID 126700436
(Z)-4-(ethylideneamino)-2-methylidene-N-propan-2-ylbut-3-en-1-amine
CID 137512127
(1Z,5Z)-3-N,4-N-dimethyl-1,6-bis(methylideneamino)hexa-1,5-diene-3,4-diamine
CID 138527605
N-ethyl-3-(prop-2-enylideneamino)but-3-en-2-amine
CID 142498413
ethane;N-ethylpropan-2-amine;N-[(Z)-prop-1-enyl]prop-2-en-1-imine
CID 142531422
4-N-propyl-3,4-dihydropyridine-3,4-diamine
CID 142922311

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-4-[2-(2-aminoethylimino)ethylamino]but-3-en-2-yl]amino]ethylazanium?
The IUPAC name of 2-[[(E)-4-[2-(2-aminoethylimino)ethylamino]but-3-en-2-yl]amino]ethylazanium (CID 142380027) is 2-[[(E)-4-[2-(2-aminoethylimino)ethylamino]but-3-en-2-yl]amino]ethylazanium.
What is the SMILES notation for 2-[[(E)-4-[2-(2-aminoethylimino)ethylamino]but-3-en-2-yl]amino]ethylazanium?
The canonical SMILES for 2-[[(E)-4-[2-(2-aminoethylimino)ethylamino]but-3-en-2-yl]amino]ethylazanium is CC(/C=C/NC/C=N/CCN)NCC[NH3+].
What is the InChIKey of 2-[[(E)-4-[2-(2-aminoethylimino)ethylamino]but-3-en-2-yl]amino]ethylazanium?
The InChIKey is VSSDUJQDXTUJMP-FTCPZNPOSA-O. The full InChI is InChI=1S/C10H23N5/c1-10(15-7-4-12)2-5-13-8-9-14-6-3-11/h2,5,9-10,13,15H,3-4,6-8,11-12H2,1H3/p+1/b5-2+,14-9+.
What are the key properties of 2-[[(E)-4-[2-(2-aminoethylimino)ethylamino]but-3-en-2-yl]amino]ethylazanium?
2-[[(E)-4-[2-(2-aminoethylimino)ethylamino]but-3-en-2-yl]amino]ethylazanium has a molecular weight of 214.34 g/mol, XLogP of -1.66, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-4-[2-(2-aminoethylimino)ethylamino]but-3-en-2-yl]amino]ethylazanium is sourced from PubChem (CID 142380027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).