3-(dimethylamino)prop-1-en-2-yl-methylidyneazanium

C6H11N2+ — CID 163603355

IUPAC3-(dimethylamino)prop-1-en-2-yl-methylidyneazanium
SMILESC#[N+]C(=C)CN(C)C
InChIInChI=1S/C6H11N2/c1-6(7-2)5-8(3)4/h2H,1,5H2,3-4H3/q+1
InChIKeyUZXFJRZWNNHJPD-UHFFFAOYSA-N
MW111.17 g/mol
LogP1.02
Rot. Bonds2

About 3-(dimethylamino)prop-1-en-2-yl-methylidyneazanium

3-(dimethylamino)prop-1-en-2-yl-methylidyneazanium (PubChem CID 163603355) has the molecular formula C6H11N2+ and a molecular weight of 111.17 g/mol. Its IUPAC name is 3-(dimethylamino)prop-1-en-2-yl-methylidyneazanium.

Molecular Properties

Compound Name3-(dimethylamino)prop-1-en-2-yl-methylidyneazanium
PubChem CID163603355
Molecular FormulaC6H11N2+
Molecular Weight111.17 g/mol
Exact Mass111.09
IUPAC Name3-(dimethylamino)prop-1-en-2-yl-methylidyneazanium
SMILESC#[N+]C(=C)CN(C)C
InChIInChI=1S/C6H11N2/c1-6(7-2)5-8(3)4/h2H,1,5H2,3-4H3/q+1
InChIKeyUZXFJRZWNNHJPD-UHFFFAOYSA-N
XLogP1.02
TPSA7.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.17
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)prop-1-en-2-yl-methylidyneazanium?
The IUPAC name of 3-(dimethylamino)prop-1-en-2-yl-methylidyneazanium (CID 163603355) is 3-(dimethylamino)prop-1-en-2-yl-methylidyneazanium.
What is the SMILES notation for 3-(dimethylamino)prop-1-en-2-yl-methylidyneazanium?
The canonical SMILES for 3-(dimethylamino)prop-1-en-2-yl-methylidyneazanium is C#[N+]C(=C)CN(C)C.
What is the InChIKey of 3-(dimethylamino)prop-1-en-2-yl-methylidyneazanium?
The InChIKey is UZXFJRZWNNHJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N2/c1-6(7-2)5-8(3)4/h2H,1,5H2,3-4H3/q+1.
What are the key properties of 3-(dimethylamino)prop-1-en-2-yl-methylidyneazanium?
3-(dimethylamino)prop-1-en-2-yl-methylidyneazanium has a molecular weight of 111.17 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)prop-1-en-2-yl-methylidyneazanium is sourced from PubChem (CID 163603355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).