3-imino-2-octylcyclopropen-1-amine

C11H20N2 — CID 59755496

IUPAC3-imino-2-octylcyclopropen-1-amine
SMILES[H]/N=c1/c(N)c1CCCCCCCC
InChIInChI=1S/C11H20N2/c1-2-3-4-5-6-7-8-9-10(12)11(9)13/h12H,2-8,13H2,1H3/b12-10+
InChIKeyXZPTZIFFAQKSGS-ZRDIBKRKSA-N
MW180.29 g/mol
LogP2.53
Rot. Bonds7

About 3-imino-2-octylcyclopropen-1-amine

3-imino-2-octylcyclopropen-1-amine (PubChem CID 59755496) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 3-imino-2-octylcyclopropen-1-amine.

Molecular Properties

Compound Name3-imino-2-octylcyclopropen-1-amine
PubChem CID59755496
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name3-imino-2-octylcyclopropen-1-amine
SMILES[H]/N=c1/c(N)c1CCCCCCCC
InChIInChI=1S/C11H20N2/c1-2-3-4-5-6-7-8-9-10(12)11(9)13/h12H,2-8,13H2,1H3/b12-10+
InChIKeyXZPTZIFFAQKSGS-ZRDIBKRKSA-N
XLogP2.53
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-imino-2-octylcyclopropen-1-amine?
The IUPAC name of 3-imino-2-octylcyclopropen-1-amine (CID 59755496) is 3-imino-2-octylcyclopropen-1-amine.
What is the SMILES notation for 3-imino-2-octylcyclopropen-1-amine?
The canonical SMILES for 3-imino-2-octylcyclopropen-1-amine is [H]/N=c1/c(N)c1CCCCCCCC.
What is the InChIKey of 3-imino-2-octylcyclopropen-1-amine?
The InChIKey is XZPTZIFFAQKSGS-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H20N2/c1-2-3-4-5-6-7-8-9-10(12)11(9)13/h12H,2-8,13H2,1H3/b12-10+.
What are the key properties of 3-imino-2-octylcyclopropen-1-amine?
3-imino-2-octylcyclopropen-1-amine has a molecular weight of 180.29 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-2-octylcyclopropen-1-amine is sourced from PubChem (CID 59755496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).