3-ethenyl-1-N-ethyl-2-N-methylcyclopropane-1,2-diamine

C8H16N2 — CID 123873802

IUPAC3-ethenyl-1-N-ethyl-2-N-methylcyclopropane-1,2-diamine
SMILESC=CC1C(NC)C1NCC
InChIInChI=1S/C8H16N2/c1-4-6-7(9-3)8(6)10-5-2/h4,6-10H,1,5H2,2-3H3
InChIKeyPZOFBKCCQCVQJA-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.37
Rot. Bonds4

About 3-ethenyl-1-N-ethyl-2-N-methylcyclopropane-1,2-diamine

3-ethenyl-1-N-ethyl-2-N-methylcyclopropane-1,2-diamine (PubChem CID 123873802) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-ethenyl-1-N-ethyl-2-N-methylcyclopropane-1,2-diamine.

Molecular Properties

Compound Name3-ethenyl-1-N-ethyl-2-N-methylcyclopropane-1,2-diamine
PubChem CID123873802
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name3-ethenyl-1-N-ethyl-2-N-methylcyclopropane-1,2-diamine
SMILESC=CC1C(NC)C1NCC
InChIInChI=1S/C8H16N2/c1-4-6-7(9-3)8(6)10-5-2/h4,6-10H,1,5H2,2-3H3
InChIKeyPZOFBKCCQCVQJA-UHFFFAOYSA-N
XLogP0.37
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.37
H-Bond Donors ≤ 52
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 3-ethenyl-1-N-ethyl-2-N-methylcyclopropane-1,2-diamine?
The IUPAC name of 3-ethenyl-1-N-ethyl-2-N-methylcyclopropane-1,2-diamine (CID 123873802) is 3-ethenyl-1-N-ethyl-2-N-methylcyclopropane-1,2-diamine.
What is the SMILES notation for 3-ethenyl-1-N-ethyl-2-N-methylcyclopropane-1,2-diamine?
The canonical SMILES for 3-ethenyl-1-N-ethyl-2-N-methylcyclopropane-1,2-diamine is C=CC1C(NC)C1NCC.
What is the InChIKey of 3-ethenyl-1-N-ethyl-2-N-methylcyclopropane-1,2-diamine?
The InChIKey is PZOFBKCCQCVQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-6-7(9-3)8(6)10-5-2/h4,6-10H,1,5H2,2-3H3.
What are the key properties of 3-ethenyl-1-N-ethyl-2-N-methylcyclopropane-1,2-diamine?
3-ethenyl-1-N-ethyl-2-N-methylcyclopropane-1,2-diamine has a molecular weight of 140.23 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1-N-ethyl-2-N-methylcyclopropane-1,2-diamine is sourced from PubChem (CID 123873802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).