2-butyl-3-iminocyclopropan-1-amine

C7H14N2 — CID 90714643

IUPAC2-butyl-3-iminocyclopropan-1-amine
SMILES[H]/N=C1/C(N)C1CCCC
InChIInChI=1S/C7H14N2/c1-2-3-4-5-6(8)7(5)9/h5-6,9H,2-4,8H2,1H3/b9-7+
InChIKeyRALQYNQSUIEFQS-VQHVLOKHSA-N
MW126.20 g/mol
LogP1.15
Rot. Bonds3

About 2-butyl-3-iminocyclopropan-1-amine

2-butyl-3-iminocyclopropan-1-amine (PubChem CID 90714643) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-butyl-3-iminocyclopropan-1-amine.

Molecular Properties

Compound Name2-butyl-3-iminocyclopropan-1-amine
PubChem CID90714643
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name2-butyl-3-iminocyclopropan-1-amine
SMILES[H]/N=C1/C(N)C1CCCC
InChIInChI=1S/C7H14N2/c1-2-3-4-5-6(8)7(5)9/h5-6,9H,2-4,8H2,1H3/b9-7+
InChIKeyRALQYNQSUIEFQS-VQHVLOKHSA-N
XLogP1.15
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.15
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-butyl-3-iminocyclopropan-1-amine?
The IUPAC name of 2-butyl-3-iminocyclopropan-1-amine (CID 90714643) is 2-butyl-3-iminocyclopropan-1-amine.
What is the SMILES notation for 2-butyl-3-iminocyclopropan-1-amine?
The canonical SMILES for 2-butyl-3-iminocyclopropan-1-amine is [H]/N=C1/C(N)C1CCCC.
What is the InChIKey of 2-butyl-3-iminocyclopropan-1-amine?
The InChIKey is RALQYNQSUIEFQS-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H14N2/c1-2-3-4-5-6(8)7(5)9/h5-6,9H,2-4,8H2,1H3/b9-7+.
What are the key properties of 2-butyl-3-iminocyclopropan-1-amine?
2-butyl-3-iminocyclopropan-1-amine has a molecular weight of 126.20 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-iminocyclopropan-1-amine is sourced from PubChem (CID 90714643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).