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

C12H26N2 — CID 2056876

IUPACN',N'-diethyl-N-methyl-N-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine
SMILESC/C=C(\C)CN(C)CCN(CC)CC
InChIInChI=1S/C12H26N2/c1-6-12(4)11-13(5)9-10-14(7-2)8-3/h6H,7-11H2,1-5H3/b12-6+
InChIKeyHNZKSYVZPAMHEK-WUXMJOGZSA-N
MW198.35 g/mol
LogP2.23
Rot. Bonds7

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

N',N'-diethyl-N-methyl-N-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine (PubChem CID 2056876) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N',N'-diethyl-N-methyl-N-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-methyl-N-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine
PubChem CID2056876
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN',N'-diethyl-N-methyl-N-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine
SMILESC/C=C(\C)CN(C)CCN(CC)CC
InChIInChI=1S/C12H26N2/c1-6-12(4)11-13(5)9-10-14(7-2)8-3/h6H,7-11H2,1-5H3/b12-6+
InChIKeyHNZKSYVZPAMHEK-WUXMJOGZSA-N
XLogP2.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.23
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'-diethyl-N-methyl-N-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-methyl-N-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine (CID 2056876) is N',N'-diethyl-N-methyl-N-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-methyl-N-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-methyl-N-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine is C/C=C(\C)CN(C)CCN(CC)CC.
What is the InChIKey of N',N'-diethyl-N-methyl-N-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine?
The InChIKey is HNZKSYVZPAMHEK-WUXMJOGZSA-N. The full InChI is InChI=1S/C12H26N2/c1-6-12(4)11-13(5)9-10-14(7-2)8-3/h6H,7-11H2,1-5H3/b12-6+.
What are the key properties of N',N'-diethyl-N-methyl-N-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine?
N',N'-diethyl-N-methyl-N-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.23, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-methyl-N-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine is sourced from PubChem (CID 2056876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).