2-ethyl-3-iminocyclopropan-1-amine

C5H10N2 — CID 91006891

IUPAC2-ethyl-3-iminocyclopropan-1-amine
SMILES[H]/N=C1/C(N)C1CC
InChIInChI=1S/C5H10N2/c1-2-3-4(6)5(3)7/h3-4,7H,2,6H2,1H3/b7-5+
InChIKeySZBRSLRWNZBFEQ-FNORWQNLSA-N
MW98.15 g/mol
LogP0.37
Rot. Bonds1

About 2-ethyl-3-iminocyclopropan-1-amine

2-ethyl-3-iminocyclopropan-1-amine (PubChem CID 91006891) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 2-ethyl-3-iminocyclopropan-1-amine.

Molecular Properties

Compound Name2-ethyl-3-iminocyclopropan-1-amine
PubChem CID91006891
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name2-ethyl-3-iminocyclopropan-1-amine
SMILES[H]/N=C1/C(N)C1CC
InChIInChI=1S/C5H10N2/c1-2-3-4(6)5(3)7/h3-4,7H,2,6H2,1H3/b7-5+
InChIKeySZBRSLRWNZBFEQ-FNORWQNLSA-N
XLogP0.37
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-iminocyclopropan-1-amine?
The IUPAC name of 2-ethyl-3-iminocyclopropan-1-amine (CID 91006891) is 2-ethyl-3-iminocyclopropan-1-amine.
What is the SMILES notation for 2-ethyl-3-iminocyclopropan-1-amine?
The canonical SMILES for 2-ethyl-3-iminocyclopropan-1-amine is [H]/N=C1/C(N)C1CC.
What is the InChIKey of 2-ethyl-3-iminocyclopropan-1-amine?
The InChIKey is SZBRSLRWNZBFEQ-FNORWQNLSA-N. The full InChI is InChI=1S/C5H10N2/c1-2-3-4(6)5(3)7/h3-4,7H,2,6H2,1H3/b7-5+.
What are the key properties of 2-ethyl-3-iminocyclopropan-1-amine?
2-ethyl-3-iminocyclopropan-1-amine has a molecular weight of 98.15 g/mol, XLogP of 0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-iminocyclopropan-1-amine is sourced from PubChem (CID 91006891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).