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

C11H24N2 — CID 134406293

IUPACN-ethyl-N'-[(E)-2-ethylbut-2-enyl]-N'-methylethane-1,2-diamine
SMILESC/C=C(\CC)CN(C)CCNCC
InChIInChI=1S/C11H24N2/c1-5-11(6-2)10-13(4)9-8-12-7-3/h5,12H,6-10H2,1-4H3/b11-5+
InChIKeyOJBFGTBGGNKKAM-VZUCSPMQSA-N
MW184.33 g/mol
LogP1.88
Rot. Bonds7

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

N-ethyl-N'-[(E)-2-ethylbut-2-enyl]-N'-methylethane-1,2-diamine (PubChem CID 134406293) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N-ethyl-N'-[(E)-2-ethylbut-2-enyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N'-[(E)-2-ethylbut-2-enyl]-N'-methylethane-1,2-diamine
PubChem CID134406293
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN-ethyl-N'-[(E)-2-ethylbut-2-enyl]-N'-methylethane-1,2-diamine
SMILESC/C=C(\CC)CN(C)CCNCC
InChIInChI=1S/C11H24N2/c1-5-11(6-2)10-13(4)9-8-12-7-3/h5,12H,6-10H2,1-4H3/b11-5+
InChIKeyOJBFGTBGGNKKAM-VZUCSPMQSA-N
XLogP1.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(E)-2-ethylbut-2-enyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N-ethyl-N'-[(E)-2-ethylbut-2-enyl]-N'-methylethane-1,2-diamine (CID 134406293) is N-ethyl-N'-[(E)-2-ethylbut-2-enyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N'-[(E)-2-ethylbut-2-enyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N-ethyl-N'-[(E)-2-ethylbut-2-enyl]-N'-methylethane-1,2-diamine is C/C=C(\CC)CN(C)CCNCC.
What is the InChIKey of N-ethyl-N'-[(E)-2-ethylbut-2-enyl]-N'-methylethane-1,2-diamine?
The InChIKey is OJBFGTBGGNKKAM-VZUCSPMQSA-N. The full InChI is InChI=1S/C11H24N2/c1-5-11(6-2)10-13(4)9-8-12-7-3/h5,12H,6-10H2,1-4H3/b11-5+.
What are the key properties of N-ethyl-N'-[(E)-2-ethylbut-2-enyl]-N'-methylethane-1,2-diamine?
N-ethyl-N'-[(E)-2-ethylbut-2-enyl]-N'-methylethane-1,2-diamine has a molecular weight of 184.33 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(E)-2-ethylbut-2-enyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 134406293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).