1-N-but-3-en-2-yl-1-N',1-N'-dimethylethene-1,1-diamine

C8H16N2 — CID 131995797

IUPAC1-N-but-3-en-2-yl-1-N',1-N'-dimethylethene-1,1-diamine
SMILESC=CC(C)NC(=C)N(C)C
InChIInChI=1S/C8H16N2/c1-6-7(2)9-8(3)10(4)5/h6-7,9H,1,3H2,2,4-5H3
InChIKeyMZFVFRHFZIOORS-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.18
Rot. Bonds4

About 1-N-but-3-en-2-yl-1-N',1-N'-dimethylethene-1,1-diamine

1-N-but-3-en-2-yl-1-N',1-N'-dimethylethene-1,1-diamine (PubChem CID 131995797) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-N-but-3-en-2-yl-1-N',1-N'-dimethylethene-1,1-diamine.

Molecular Properties

Compound Name1-N-but-3-en-2-yl-1-N',1-N'-dimethylethene-1,1-diamine
PubChem CID131995797
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name1-N-but-3-en-2-yl-1-N',1-N'-dimethylethene-1,1-diamine
SMILESC=CC(C)NC(=C)N(C)C
InChIInChI=1S/C8H16N2/c1-6-7(2)9-8(3)10(4)5/h6-7,9H,1,3H2,2,4-5H3
InChIKeyMZFVFRHFZIOORS-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-but-3-en-2-yl-1-N',1-N'-dimethylethene-1,1-diamine?
The IUPAC name of 1-N-but-3-en-2-yl-1-N',1-N'-dimethylethene-1,1-diamine (CID 131995797) is 1-N-but-3-en-2-yl-1-N',1-N'-dimethylethene-1,1-diamine.
What is the SMILES notation for 1-N-but-3-en-2-yl-1-N',1-N'-dimethylethene-1,1-diamine?
The canonical SMILES for 1-N-but-3-en-2-yl-1-N',1-N'-dimethylethene-1,1-diamine is C=CC(C)NC(=C)N(C)C.
What is the InChIKey of 1-N-but-3-en-2-yl-1-N',1-N'-dimethylethene-1,1-diamine?
The InChIKey is MZFVFRHFZIOORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-6-7(2)9-8(3)10(4)5/h6-7,9H,1,3H2,2,4-5H3.
What are the key properties of 1-N-but-3-en-2-yl-1-N',1-N'-dimethylethene-1,1-diamine?
1-N-but-3-en-2-yl-1-N',1-N'-dimethylethene-1,1-diamine has a molecular weight of 140.23 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-but-3-en-2-yl-1-N',1-N'-dimethylethene-1,1-diamine is sourced from PubChem (CID 131995797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).