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

C11H24N2 — CID 2247116

IUPACN'-ethyl-N,N-dimethyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine
SMILESC/C=C(\C)CN(CC)CCN(C)C
InChIInChI=1S/C11H24N2/c1-6-11(3)10-13(7-2)9-8-12(4)5/h6H,7-10H2,1-5H3/b11-6+
InChIKeyIJIAURMZNPMBJW-IZZDOVSWSA-N
MW184.33 g/mol
LogP1.84
Rot. Bonds6

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

N'-ethyl-N,N-dimethyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine (PubChem CID 2247116) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N'-ethyl-N,N-dimethyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N,N-dimethyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine
PubChem CID2247116
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN'-ethyl-N,N-dimethyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine
SMILESC/C=C(\C)CN(CC)CCN(C)C
InChIInChI=1S/C11H24N2/c1-6-11(3)10-13(7-2)9-8-12(4)5/h6H,7-10H2,1-5H3/b11-6+
InChIKeyIJIAURMZNPMBJW-IZZDOVSWSA-N
XLogP1.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.84
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'-ethyl-N,N-dimethyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N,N-dimethyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine (CID 2247116) is N'-ethyl-N,N-dimethyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N,N-dimethyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N,N-dimethyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine is C/C=C(\C)CN(CC)CCN(C)C.
What is the InChIKey of N'-ethyl-N,N-dimethyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine?
The InChIKey is IJIAURMZNPMBJW-IZZDOVSWSA-N. The full InChI is InChI=1S/C11H24N2/c1-6-11(3)10-13(7-2)9-8-12(4)5/h6H,7-10H2,1-5H3/b11-6+.
What are the key properties of N'-ethyl-N,N-dimethyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine?
N'-ethyl-N,N-dimethyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine has a molecular weight of 184.33 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N,N-dimethyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine is sourced from PubChem (CID 2247116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).