2-ethenyl-N,N,N'-trimethylprop-1-ene-1,3-diamine

C8H16N2 — CID 91223219

IUPAC2-ethenyl-N,N,N'-trimethylprop-1-ene-1,3-diamine
SMILESC=CC(=CN(C)C)CNC
InChIInChI=1S/C8H16N2/c1-5-8(6-9-2)7-10(3)4/h5,7,9H,1,6H2,2-4H3
InChIKeyPCZWJFOWFIQPCF-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.84
Rot. Bonds4

About 2-ethenyl-N,N,N'-trimethylprop-1-ene-1,3-diamine

2-ethenyl-N,N,N'-trimethylprop-1-ene-1,3-diamine (PubChem CID 91223219) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-ethenyl-N,N,N'-trimethylprop-1-ene-1,3-diamine.

Molecular Properties

Compound Name2-ethenyl-N,N,N'-trimethylprop-1-ene-1,3-diamine
PubChem CID91223219
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2-ethenyl-N,N,N'-trimethylprop-1-ene-1,3-diamine
SMILESC=CC(=CN(C)C)CNC
InChIInChI=1S/C8H16N2/c1-5-8(6-9-2)7-10(3)4/h5,7,9H,1,6H2,2-4H3
InChIKeyPCZWJFOWFIQPCF-UHFFFAOYSA-N
XLogP0.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1,3-Propanediaminium,2-[(dimethylamino)methylene]-N1,N1,N3,N3-tetramethyl-
CID 57350043
(1-Methyl-1-propan-2-ylpyrrol-1-ium-3-yl)methanamine
CID 69647525
(1,1-Dimethylpyrrol-1-ium-3-yl)methanamine
CID 69647614
2-N,2-N,2-trimethyl-1-N-[(1Z)-3-methylbuta-1,3-dienyl]propane-1,2-diamine
CID 87420332
N',N'-dimethyl-N-[(1Z)-3-methylbuta-1,3-dienyl]ethane-1,2-diamine
CID 87420336
(E)-2-ethenyl-N,N,N'-trimethylprop-1-ene-1,3-diamine
CID 88223784
(Z,3E)-N',N'-dimethyl-3-prop-2-enylidenebut-1-ene-1,4-diamine
CID 88914835
(Z,3E)-3-but-3-en-2-ylidene-N'-methylbut-1-ene-1,4-diamine
CID 89218687
(Z,3E)-N',2-dimethyl-3-prop-2-enylidenebut-1-ene-1,4-diamine
CID 89218786
(Z,3E)-N'-methyl-3-prop-2-enylidenebut-1-ene-1,4-diamine
CID 89218789
(E)-2-[(1Z)-buta-1,3-dienyl]-N'-methylprop-1-ene-1,3-diamine
CID 89220899
(E)-2-methyl-N-[(2Z)-penta-2,4-dienyl]but-1-en-1-amine
CID 89381331

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-N,N,N'-trimethylprop-1-ene-1,3-diamine?
The IUPAC name of 2-ethenyl-N,N,N'-trimethylprop-1-ene-1,3-diamine (CID 91223219) is 2-ethenyl-N,N,N'-trimethylprop-1-ene-1,3-diamine.
What is the SMILES notation for 2-ethenyl-N,N,N'-trimethylprop-1-ene-1,3-diamine?
The canonical SMILES for 2-ethenyl-N,N,N'-trimethylprop-1-ene-1,3-diamine is C=CC(=CN(C)C)CNC.
What is the InChIKey of 2-ethenyl-N,N,N'-trimethylprop-1-ene-1,3-diamine?
The InChIKey is PCZWJFOWFIQPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-5-8(6-9-2)7-10(3)4/h5,7,9H,1,6H2,2-4H3.
What are the key properties of 2-ethenyl-N,N,N'-trimethylprop-1-ene-1,3-diamine?
2-ethenyl-N,N,N'-trimethylprop-1-ene-1,3-diamine has a molecular weight of 140.23 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-N,N,N'-trimethylprop-1-ene-1,3-diamine is sourced from PubChem (CID 91223219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).