1-N'-but-1-en-2-ylethene-1,1-diamine

C6H12N2 — CID 166131853

IUPAC1-N'-but-1-en-2-ylethene-1,1-diamine
SMILESC=C(N)NC(=C)CC
InChIInChI=1S/C6H12N2/c1-4-5(2)8-6(3)7/h8H,2-4,7H2,1H3
InChIKeySEOMTMDYZOZJMN-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.93
Rot. Bonds3

About 1-N'-but-1-en-2-ylethene-1,1-diamine

1-N'-but-1-en-2-ylethene-1,1-diamine (PubChem CID 166131853) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 1-N'-but-1-en-2-ylethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-but-1-en-2-ylethene-1,1-diamine
PubChem CID166131853
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name1-N'-but-1-en-2-ylethene-1,1-diamine
SMILESC=C(N)NC(=C)CC
InChIInChI=1S/C6H12N2/c1-4-5(2)8-6(3)7/h8H,2-4,7H2,1H3
InChIKeySEOMTMDYZOZJMN-UHFFFAOYSA-N
XLogP0.93
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N'-but-1-en-2-ylethene-1,1-diamine?
The IUPAC name of 1-N'-but-1-en-2-ylethene-1,1-diamine (CID 166131853) is 1-N'-but-1-en-2-ylethene-1,1-diamine.
What is the SMILES notation for 1-N'-but-1-en-2-ylethene-1,1-diamine?
The canonical SMILES for 1-N'-but-1-en-2-ylethene-1,1-diamine is C=C(N)NC(=C)CC.
What is the InChIKey of 1-N'-but-1-en-2-ylethene-1,1-diamine?
The InChIKey is SEOMTMDYZOZJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-4-5(2)8-6(3)7/h8H,2-4,7H2,1H3.
What are the key properties of 1-N'-but-1-en-2-ylethene-1,1-diamine?
1-N'-but-1-en-2-ylethene-1,1-diamine has a molecular weight of 112.18 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-but-1-en-2-ylethene-1,1-diamine is sourced from PubChem (CID 166131853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).