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

C10H22N2 — CID 2247104

IUPACN,N,N'-trimethyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine
SMILESC/C=C(\C)CN(C)CCN(C)C
InChIInChI=1S/C10H22N2/c1-6-10(2)9-12(5)8-7-11(3)4/h6H,7-9H2,1-5H3/b10-6+
InChIKeyZTGONZTZFISPMO-UXBLZVDNSA-N
MW170.30 g/mol
LogP1.45
Rot. Bonds5

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

N,N,N'-trimethyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine (PubChem CID 2247104) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine
PubChem CID2247104
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN,N,N'-trimethyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine
SMILESC/C=C(\C)CN(C)CCN(C)C
InChIInChI=1S/C10H22N2/c1-6-10(2)9-12(5)8-7-11(3)4/h6H,7-9H2,1-5H3/b10-6+
InChIKeyZTGONZTZFISPMO-UXBLZVDNSA-N
XLogP1.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.45
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'-trimethyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine (CID 2247104) is N,N,N'-trimethyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine is C/C=C(\C)CN(C)CCN(C)C.
What is the InChIKey of N,N,N'-trimethyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine?
The InChIKey is ZTGONZTZFISPMO-UXBLZVDNSA-N. The full InChI is InChI=1S/C10H22N2/c1-6-10(2)9-12(5)8-7-11(3)4/h6H,7-9H2,1-5H3/b10-6+.
What are the key properties of N,N,N'-trimethyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine?
N,N,N'-trimethyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine is sourced from PubChem (CID 2247104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).