N,N,N'-triethyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine

C13H28N2 — CID 2056916

IUPACN,N,N'-triethyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine
SMILESC/C=C(\C)CN(CC)CCN(CC)CC
InChIInChI=1S/C13H28N2/c1-6-13(5)12-15(9-4)11-10-14(7-2)8-3/h6H,7-12H2,1-5H3/b13-6+
InChIKeyZGHUIPQYEBWEDX-AWNIVKPZSA-N
MW212.38 g/mol
LogP2.62
Rot. Bonds8

About N,N,N'-triethyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine

N,N,N'-triethyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine (PubChem CID 2056916) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N,N,N'-triethyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-triethyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine
PubChem CID2056916
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN,N,N'-triethyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine
SMILESC/C=C(\C)CN(CC)CCN(CC)CC
InChIInChI=1S/C13H28N2/c1-6-13(5)12-15(9-4)11-10-14(7-2)8-3/h6H,7-12H2,1-5H3/b13-6+
InChIKeyZGHUIPQYEBWEDX-AWNIVKPZSA-N
XLogP2.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N,N'-triethyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine?
The IUPAC name of N,N,N'-triethyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine (CID 2056916) is N,N,N'-triethyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-triethyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine?
The canonical SMILES for N,N,N'-triethyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine is C/C=C(\C)CN(CC)CCN(CC)CC.
What is the InChIKey of N,N,N'-triethyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine?
The InChIKey is ZGHUIPQYEBWEDX-AWNIVKPZSA-N. The full InChI is InChI=1S/C13H28N2/c1-6-13(5)12-15(9-4)11-10-14(7-2)8-3/h6H,7-12H2,1-5H3/b13-6+.
What are the key properties of N,N,N'-triethyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine?
N,N,N'-triethyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.62, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-triethyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine is sourced from PubChem (CID 2056916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).