1-N-[(E)-but-2-en-2-yl]-2-N,2-dimethylpropane-1,2-diamine

C9H20N2 — CID 163944896

IUPAC1-N-[(E)-but-2-en-2-yl]-2-N,2-dimethylpropane-1,2-diamine
SMILESC/C=C(\C)NCC(C)(C)NC
InChIInChI=1S/C9H20N2/c1-6-8(2)11-7-9(3,4)10-5/h6,10-11H,7H2,1-5H3/b8-6+
InChIKeyIPMIWDSCWNMUKK-SOFGYWHQSA-N
MW156.27 g/mol
LogP1.50
Rot. Bonds4

About 1-N-[(E)-but-2-en-2-yl]-2-N,2-dimethylpropane-1,2-diamine

1-N-[(E)-but-2-en-2-yl]-2-N,2-dimethylpropane-1,2-diamine (PubChem CID 163944896) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-N-[(E)-but-2-en-2-yl]-2-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(E)-but-2-en-2-yl]-2-N,2-dimethylpropane-1,2-diamine
PubChem CID163944896
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name1-N-[(E)-but-2-en-2-yl]-2-N,2-dimethylpropane-1,2-diamine
SMILESC/C=C(\C)NCC(C)(C)NC
InChIInChI=1S/C9H20N2/c1-6-8(2)11-7-9(3,4)10-5/h6,10-11H,7H2,1-5H3/b8-6+
InChIKeyIPMIWDSCWNMUKK-SOFGYWHQSA-N
XLogP1.50
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-[(E)-but-2-en-2-yl]-2-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[(E)-but-2-en-2-yl]-2-N,2-dimethylpropane-1,2-diamine (CID 163944896) is 1-N-[(E)-but-2-en-2-yl]-2-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[(E)-but-2-en-2-yl]-2-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[(E)-but-2-en-2-yl]-2-N,2-dimethylpropane-1,2-diamine is C/C=C(\C)NCC(C)(C)NC.
What is the InChIKey of 1-N-[(E)-but-2-en-2-yl]-2-N,2-dimethylpropane-1,2-diamine?
The InChIKey is IPMIWDSCWNMUKK-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H20N2/c1-6-8(2)11-7-9(3,4)10-5/h6,10-11H,7H2,1-5H3/b8-6+.
What are the key properties of 1-N-[(E)-but-2-en-2-yl]-2-N,2-dimethylpropane-1,2-diamine?
1-N-[(E)-but-2-en-2-yl]-2-N,2-dimethylpropane-1,2-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(E)-but-2-en-2-yl]-2-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 163944896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).