2-imino-3-propylcyclopropan-1-amine

C6H12N2 — CID 91564730

IUPAC2-imino-3-propylcyclopropan-1-amine
SMILES[H]/N=C1/C(N)C1CCC
InChIInChI=1S/C6H12N2/c1-2-3-4-5(7)6(4)8/h4-5,8H,2-3,7H2,1H3/b8-6+
InChIKeyYTPAEXPJEWKHFZ-SOFGYWHQSA-N
MW112.18 g/mol
LogP0.76
Rot. Bonds2

About 2-imino-3-propylcyclopropan-1-amine

2-imino-3-propylcyclopropan-1-amine (PubChem CID 91564730) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 2-imino-3-propylcyclopropan-1-amine.

Molecular Properties

Compound Name2-imino-3-propylcyclopropan-1-amine
PubChem CID91564730
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name2-imino-3-propylcyclopropan-1-amine
SMILES[H]/N=C1/C(N)C1CCC
InChIInChI=1S/C6H12N2/c1-2-3-4-5(7)6(4)8/h4-5,8H,2-3,7H2,1H3/b8-6+
InChIKeyYTPAEXPJEWKHFZ-SOFGYWHQSA-N
XLogP0.76
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.76
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-imino-3-propylcyclopropan-1-amine?
The IUPAC name of 2-imino-3-propylcyclopropan-1-amine (CID 91564730) is 2-imino-3-propylcyclopropan-1-amine.
What is the SMILES notation for 2-imino-3-propylcyclopropan-1-amine?
The canonical SMILES for 2-imino-3-propylcyclopropan-1-amine is [H]/N=C1/C(N)C1CCC.
What is the InChIKey of 2-imino-3-propylcyclopropan-1-amine?
The InChIKey is YTPAEXPJEWKHFZ-SOFGYWHQSA-N. The full InChI is InChI=1S/C6H12N2/c1-2-3-4-5(7)6(4)8/h4-5,8H,2-3,7H2,1H3/b8-6+.
What are the key properties of 2-imino-3-propylcyclopropan-1-amine?
2-imino-3-propylcyclopropan-1-amine has a molecular weight of 112.18 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-3-propylcyclopropan-1-amine is sourced from PubChem (CID 91564730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).