N-ethyl-N'-methyl-N'-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]ethane-1,2-diamine

C12H23N3 — CID 134405858

IUPACN-ethyl-N'-methyl-N'-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]ethane-1,2-diamine
SMILESC=C(C)/N=C/C(=C\C)N(C)CCNCC
InChIInChI=1S/C12H23N3/c1-6-12(10-14-11(3)4)15(5)9-8-13-7-2/h6,10,13H,3,7-9H2,1-2,4-5H3/b12-6+,14-10+
InChIKeyMGFNNPKKLLPZIV-WMWBVCCJSA-N
MW209.34 g/mol
LogP2.04
Rot. Bonds7

About N-ethyl-N'-methyl-N'-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]ethane-1,2-diamine

N-ethyl-N'-methyl-N'-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]ethane-1,2-diamine (PubChem CID 134405858) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-ethyl-N'-methyl-N'-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N'-methyl-N'-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]ethane-1,2-diamine
PubChem CID134405858
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-ethyl-N'-methyl-N'-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]ethane-1,2-diamine
SMILESC=C(C)/N=C/C(=C\C)N(C)CCNCC
InChIInChI=1S/C12H23N3/c1-6-12(10-14-11(3)4)15(5)9-8-13-7-2/h6,10,13H,3,7-9H2,1-2,4-5H3/b12-6+,14-10+
InChIKeyMGFNNPKKLLPZIV-WMWBVCCJSA-N
XLogP2.04
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
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'-but-1-enyl-N-ethyl-N'-methylethane-1,2-diamine
CID 123878182
2-methyl-N-prop-1-en-2-ylprop-2-en-1-imine
CID 89323000
2-(dimethylamino)ethanol;2-(ethylamino)ethanol
CID 88639908
N-[2-(ethylamino)ethyl]-N-hydroxyformamide
CID 145487421
N-ethyl-3-(ethyliminomethyl)but-3-en-1-amine
CID 146199675
1-N-(2-aminoethyl)-1-N-[2-[2-(ethylamino)ethylamino]ethyl]prop-2-ene-1,2-diamine
CID 166924178
N-[2-[ethylidenecarbamoyl(methyl)amino]ethyl]prop-2-enamide
CID 141007643
N-methyl-N-[2-(propylamino)ethyl]acetamide
CID 21337705
3-methyl-2-methylidene-N-prop-1-en-2-ylbut-3-en-1-imine
CID 143965709
N'-tert-butyl-N-ethyl-N'-methylethane-1,2-diamine
CID 115205666
(2E,4Z)-1-N-[2-(ethylamino)ethyl]-1-N-methylhexa-2,4-diene-1,5-diamine
CID 134406221
N'-ethyl-N'-methyl-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 62635241

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-methyl-N'-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]ethane-1,2-diamine?
The IUPAC name of N-ethyl-N'-methyl-N'-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]ethane-1,2-diamine (CID 134405858) is N-ethyl-N'-methyl-N'-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N'-methyl-N'-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N'-methyl-N'-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]ethane-1,2-diamine is C=C(C)/N=C/C(=C\C)N(C)CCNCC.
What is the InChIKey of N-ethyl-N'-methyl-N'-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]ethane-1,2-diamine?
The InChIKey is MGFNNPKKLLPZIV-WMWBVCCJSA-N. The full InChI is InChI=1S/C12H23N3/c1-6-12(10-14-11(3)4)15(5)9-8-13-7-2/h6,10,13H,3,7-9H2,1-2,4-5H3/b12-6+,14-10+.
What are the key properties of N-ethyl-N'-methyl-N'-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]ethane-1,2-diamine?
N-ethyl-N'-methyl-N'-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]ethane-1,2-diamine has a molecular weight of 209.34 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-methyl-N'-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 134405858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).