N'-ethyl-N'-[(E)-2-ethyl-4-ethyliminobut-2-enyl]-N-methylethane-1,2-diamine

C13H27N3 — CID 142339777

IUPACN'-ethyl-N'-[(E)-2-ethyl-4-ethyliminobut-2-enyl]-N-methylethane-1,2-diamine
SMILESCC/N=C/C=C(\CC)CN(CC)CCNC
InChIInChI=1S/C13H27N3/c1-5-13(8-9-15-6-2)12-16(7-3)11-10-14-4/h8-9,14H,5-7,10-12H2,1-4H3/b13-8+,15-9+
InChIKeyGWCOUWSLCQSAEU-TVXJZBATSA-N
MW225.38 g/mol
LogP1.95
Rot. Bonds9

About N'-ethyl-N'-[(E)-2-ethyl-4-ethyliminobut-2-enyl]-N-methylethane-1,2-diamine

N'-ethyl-N'-[(E)-2-ethyl-4-ethyliminobut-2-enyl]-N-methylethane-1,2-diamine (PubChem CID 142339777) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is N'-ethyl-N'-[(E)-2-ethyl-4-ethyliminobut-2-enyl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[(E)-2-ethyl-4-ethyliminobut-2-enyl]-N-methylethane-1,2-diamine
PubChem CID142339777
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC NameN'-ethyl-N'-[(E)-2-ethyl-4-ethyliminobut-2-enyl]-N-methylethane-1,2-diamine
SMILESCC/N=C/C=C(\CC)CN(CC)CCNC
InChIInChI=1S/C13H27N3/c1-5-13(8-9-15-6-2)12-16(7-3)11-10-14-4/h8-9,14H,5-7,10-12H2,1-4H3/b13-8+,15-9+
InChIKeyGWCOUWSLCQSAEU-TVXJZBATSA-N
XLogP1.95
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-Dihydropyridin-4-ylmethyl)piperazine
CID 69744774
4-[[Ethyl(propyl)amino]methyl]-2,3-dihydropyridin-2-amine
CID 91308930
N'-methyl-N'-[(5-methyl-2H-pyrrol-4-yl)methyl]ethane-1,2-diamine
CID 121442679
N,3-dimethyl-2-methylidene-5-methyliminopent-3-en-1-amine
CID 123218319
N'-(3-methyl-5-methyliminopent-3-en-2-yl)ethane-1,2-diamine
CID 123781675
N-ethyl-2-[[(Z)-pent-2-enylidene]amino]ethanamine
CID 132002063
N-ethyl-N'-[(E)-2-ethylbut-2-enyl]-N'-methylethane-1,2-diamine
CID 134406293
N-ethyl-N'-[(Z)-5-iminopent-3-enyl]ethane-1,2-diamine
CID 137402233
N'-(3,4-dihydro-2H-azepin-3-ylmethyl)-N,N'-dimethylethane-1,2-diamine
CID 142095769
(Z)-3-(ethyliminomethyl)-N-methylpent-3-en-1-amine
CID 142206942
N-(2,3-dihydropyridin-4-ylmethyl)propan-1-amine
CID 143003407
(E)-N,3-dimethyl-5-methyliminopent-3-en-1-amine
CID 143115309

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[(E)-2-ethyl-4-ethyliminobut-2-enyl]-N-methylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-[(E)-2-ethyl-4-ethyliminobut-2-enyl]-N-methylethane-1,2-diamine (CID 142339777) is N'-ethyl-N'-[(E)-2-ethyl-4-ethyliminobut-2-enyl]-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-[(E)-2-ethyl-4-ethyliminobut-2-enyl]-N-methylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-[(E)-2-ethyl-4-ethyliminobut-2-enyl]-N-methylethane-1,2-diamine is CC/N=C/C=C(\CC)CN(CC)CCNC.
What is the InChIKey of N'-ethyl-N'-[(E)-2-ethyl-4-ethyliminobut-2-enyl]-N-methylethane-1,2-diamine?
The InChIKey is GWCOUWSLCQSAEU-TVXJZBATSA-N. The full InChI is InChI=1S/C13H27N3/c1-5-13(8-9-15-6-2)12-16(7-3)11-10-14-4/h8-9,14H,5-7,10-12H2,1-4H3/b13-8+,15-9+.
What are the key properties of N'-ethyl-N'-[(E)-2-ethyl-4-ethyliminobut-2-enyl]-N-methylethane-1,2-diamine?
N'-ethyl-N'-[(E)-2-ethyl-4-ethyliminobut-2-enyl]-N-methylethane-1,2-diamine has a molecular weight of 225.38 g/mol, XLogP of 1.95, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[(E)-2-ethyl-4-ethyliminobut-2-enyl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 142339777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).