2-(ethyliminomethyl)-N'-[(Z)-3-imino-2-methylprop-1-enyl]but-1-ene-1,4-diamine

C11H20N4 — CID 176537501

IUPAC2-(ethyliminomethyl)-N'-[(Z)-3-imino-2-methylprop-1-enyl]but-1-ene-1,4-diamine
SMILES[H]/N=C/C(C)=C\NCCC(=CN)/C=N/CC
InChIInChI=1S/C11H20N4/c1-3-14-9-11(7-13)4-5-15-8-10(2)6-12/h6-9,12,15H,3-5,13H2,1-2H3/b10-8-,11-7?,12-6+,14-9+
InChIKeyIMBPONWOSPGFFK-POMKJIQCSA-N
MW208.31 g/mol
LogP1.45
Rot. Bonds7

About 2-(ethyliminomethyl)-N'-[(Z)-3-imino-2-methylprop-1-enyl]but-1-ene-1,4-diamine

2-(ethyliminomethyl)-N'-[(Z)-3-imino-2-methylprop-1-enyl]but-1-ene-1,4-diamine (PubChem CID 176537501) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-(ethyliminomethyl)-N'-[(Z)-3-imino-2-methylprop-1-enyl]but-1-ene-1,4-diamine.

Molecular Properties

Compound Name2-(ethyliminomethyl)-N'-[(Z)-3-imino-2-methylprop-1-enyl]but-1-ene-1,4-diamine
PubChem CID176537501
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name2-(ethyliminomethyl)-N'-[(Z)-3-imino-2-methylprop-1-enyl]but-1-ene-1,4-diamine
SMILES[H]/N=C/C(C)=C\NCCC(=CN)/C=N/CC
InChIInChI=1S/C11H20N4/c1-3-14-9-11(7-13)4-5-15-8-10(2)6-12/h6-9,12,15H,3-5,13H2,1-2H3/b10-8-,11-7?,12-6+,14-9+
InChIKeyIMBPONWOSPGFFK-POMKJIQCSA-N
XLogP1.45
TPSA74.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(ethyliminomethyl)-N'-[(Z)-3-imino-2-methylprop-1-enyl]but-1-ene-1,4-diamine?
The IUPAC name of 2-(ethyliminomethyl)-N'-[(Z)-3-imino-2-methylprop-1-enyl]but-1-ene-1,4-diamine (CID 176537501) is 2-(ethyliminomethyl)-N'-[(Z)-3-imino-2-methylprop-1-enyl]but-1-ene-1,4-diamine.
What is the SMILES notation for 2-(ethyliminomethyl)-N'-[(Z)-3-imino-2-methylprop-1-enyl]but-1-ene-1,4-diamine?
The canonical SMILES for 2-(ethyliminomethyl)-N'-[(Z)-3-imino-2-methylprop-1-enyl]but-1-ene-1,4-diamine is [H]/N=C/C(C)=C\NCCC(=CN)/C=N/CC.
What is the InChIKey of 2-(ethyliminomethyl)-N'-[(Z)-3-imino-2-methylprop-1-enyl]but-1-ene-1,4-diamine?
The InChIKey is IMBPONWOSPGFFK-POMKJIQCSA-N. The full InChI is InChI=1S/C11H20N4/c1-3-14-9-11(7-13)4-5-15-8-10(2)6-12/h6-9,12,15H,3-5,13H2,1-2H3/b10-8-,11-7?,12-6+,14-9+.
What are the key properties of 2-(ethyliminomethyl)-N'-[(Z)-3-imino-2-methylprop-1-enyl]but-1-ene-1,4-diamine?
2-(ethyliminomethyl)-N'-[(Z)-3-imino-2-methylprop-1-enyl]but-1-ene-1,4-diamine has a molecular weight of 208.31 g/mol, XLogP of 1.45, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethyliminomethyl)-N'-[(Z)-3-imino-2-methylprop-1-enyl]but-1-ene-1,4-diamine is sourced from PubChem (CID 176537501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).