1-N,1-N'-dimethylbut-2-ene-1,1-diamine

C6H14N2 — CID 71434701

IUPAC1-N,1-N'-dimethylbut-2-ene-1,1-diamine
SMILESCC=CC(NC)NC
InChIInChI=1S/C6H14N2/c1-4-5-6(7-2)8-3/h4-8H,1-3H3
InChIKeyNEDRDWRRROTOOA-UHFFFAOYSA-N
MW114.19 g/mol
LogP0.33
Rot. Bonds3

About 1-N,1-N'-dimethylbut-2-ene-1,1-diamine

1-N,1-N'-dimethylbut-2-ene-1,1-diamine (PubChem CID 71434701) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is 1-N,1-N'-dimethylbut-2-ene-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-dimethylbut-2-ene-1,1-diamine
PubChem CID71434701
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name1-N,1-N'-dimethylbut-2-ene-1,1-diamine
SMILESCC=CC(NC)NC
InChIInChI=1S/C6H14N2/c1-4-5-6(7-2)8-3/h4-8H,1-3H3
InChIKeyNEDRDWRRROTOOA-UHFFFAOYSA-N
XLogP0.33
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-dimethylbut-2-ene-1,1-diamine?
The IUPAC name of 1-N,1-N'-dimethylbut-2-ene-1,1-diamine (CID 71434701) is 1-N,1-N'-dimethylbut-2-ene-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-dimethylbut-2-ene-1,1-diamine?
The canonical SMILES for 1-N,1-N'-dimethylbut-2-ene-1,1-diamine is CC=CC(NC)NC.
What is the InChIKey of 1-N,1-N'-dimethylbut-2-ene-1,1-diamine?
The InChIKey is NEDRDWRRROTOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2/c1-4-5-6(7-2)8-3/h4-8H,1-3H3.
What are the key properties of 1-N,1-N'-dimethylbut-2-ene-1,1-diamine?
1-N,1-N'-dimethylbut-2-ene-1,1-diamine has a molecular weight of 114.19 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-dimethylbut-2-ene-1,1-diamine is sourced from PubChem (CID 71434701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).