N'-[2-[[(Z)-but-2-en-2-yl]iminomethyl]prop-2-enyl]-N-ethylethane-1,2-diamine

C12H23N3 — CID 134406303

IUPACN'-[2-[[(Z)-but-2-en-2-yl]iminomethyl]prop-2-enyl]-N-ethylethane-1,2-diamine
SMILESC=C(/C=N/C(C)=C\C)CNCCNCC
InChIInChI=1S/C12H23N3/c1-5-12(4)15-10-11(3)9-14-8-7-13-6-2/h5,10,13-14H,3,6-9H2,1-2,4H3/b12-5-,15-10+
InChIKeyLPAKUIQHNTUECA-GZITWBDHSA-N
MW209.34 g/mol
LogP1.74
Rot. Bonds8

About N'-[2-[[(Z)-but-2-en-2-yl]iminomethyl]prop-2-enyl]-N-ethylethane-1,2-diamine

N'-[2-[[(Z)-but-2-en-2-yl]iminomethyl]prop-2-enyl]-N-ethylethane-1,2-diamine (PubChem CID 134406303) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N'-[2-[[(Z)-but-2-en-2-yl]iminomethyl]prop-2-enyl]-N-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[[(Z)-but-2-en-2-yl]iminomethyl]prop-2-enyl]-N-ethylethane-1,2-diamine
PubChem CID134406303
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN'-[2-[[(Z)-but-2-en-2-yl]iminomethyl]prop-2-enyl]-N-ethylethane-1,2-diamine
SMILESC=C(/C=N/C(C)=C\C)CNCCNCC
InChIInChI=1S/C12H23N3/c1-5-12(4)15-10-11(3)9-14-8-7-13-6-2/h5,10,13-14H,3,6-9H2,1-2,4H3/b12-5-,15-10+
InChIKeyLPAKUIQHNTUECA-GZITWBDHSA-N
XLogP1.74
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)but-2-en-1-imine
CID 70311985
1-N-ethyl-1-N-[(Z)-2-(2-methylidenebutylideneamino)but-2-enyl]propane-1,2-diamine
CID 88061817
N-(2-methanimidoylprop-2-enyl)-N'-propan-2-ylethane-1,2-diamine
CID 123225704
Trimethyl-[2-[(3-methyl-5-methyliminopenta-1,3-dien-2-yl)amino]ethyl]azanium
CID 123243465
2-N-[(Z)-2-methyl-3-methyliminoprop-1-enyl]prop-2-ene-1,2-diamine
CID 134179661
2-methyl-N-(2H-pyrrol-4-ylmethyl)propan-2-amine
CID 134310683
N-ethyl-N'-methyl-N'-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]ethane-1,2-diamine
CID 134405858
N-ethyl-N'-[(2E,4Z)-2-methyl-5-(methylideneamino)hexa-2,4-dienyl]ethane-1,2-diamine
CID 134406263
(Z)-2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylbut-2-en-1-imine
CID 134406286
N-ethyl-N'-[(2-methyl-4H-azepin-6-yl)methyl]ethane-1,2-diamine
CID 134406309
N'-[(Z)-2-[[(Z)-but-2-en-2-yl]iminomethyl]but-2-enyl]-N-ethylethane-1,2-diamine
CID 134406371
N-ethyl-N'-methyl-N'-[(Z)-2-(prop-1-en-2-yliminomethyl)but-2-enyl]ethane-1,2-diamine
CID 134406419

Frequently Asked Questions

What is the IUPAC name of N'-[2-[[(Z)-but-2-en-2-yl]iminomethyl]prop-2-enyl]-N-ethylethane-1,2-diamine?
The IUPAC name of N'-[2-[[(Z)-but-2-en-2-yl]iminomethyl]prop-2-enyl]-N-ethylethane-1,2-diamine (CID 134406303) is N'-[2-[[(Z)-but-2-en-2-yl]iminomethyl]prop-2-enyl]-N-ethylethane-1,2-diamine.
What is the SMILES notation for N'-[2-[[(Z)-but-2-en-2-yl]iminomethyl]prop-2-enyl]-N-ethylethane-1,2-diamine?
The canonical SMILES for N'-[2-[[(Z)-but-2-en-2-yl]iminomethyl]prop-2-enyl]-N-ethylethane-1,2-diamine is C=C(/C=N/C(C)=C\C)CNCCNCC.
What is the InChIKey of N'-[2-[[(Z)-but-2-en-2-yl]iminomethyl]prop-2-enyl]-N-ethylethane-1,2-diamine?
The InChIKey is LPAKUIQHNTUECA-GZITWBDHSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-12(4)15-10-11(3)9-14-8-7-13-6-2/h5,10,13-14H,3,6-9H2,1-2,4H3/b12-5-,15-10+.
What are the key properties of N'-[2-[[(Z)-but-2-en-2-yl]iminomethyl]prop-2-enyl]-N-ethylethane-1,2-diamine?
N'-[2-[[(Z)-but-2-en-2-yl]iminomethyl]prop-2-enyl]-N-ethylethane-1,2-diamine has a molecular weight of 209.34 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[[(Z)-but-2-en-2-yl]iminomethyl]prop-2-enyl]-N-ethylethane-1,2-diamine is sourced from PubChem (CID 134406303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).