8-iminooctan-1-amine

C8H18N2 — CID 57197661

IUPAC8-iminooctan-1-amine
SMILES[H]/N=C/CCCCCCCN
InChIInChI=1S/C8H18N2/c9-7-5-3-1-2-4-6-8-10/h7,9H,1-6,8,10H2/b9-7+
InChIKeyFSEAROBGASFDSZ-VQHVLOKHSA-N
MW142.25 g/mol
LogP1.94
Rot. Bonds7

About 8-iminooctan-1-amine

8-iminooctan-1-amine (PubChem CID 57197661) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 8-iminooctan-1-amine.

Molecular Properties

Compound Name8-iminooctan-1-amine
PubChem CID57197661
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name8-iminooctan-1-amine
SMILES[H]/N=C/CCCCCCCN
InChIInChI=1S/C8H18N2/c9-7-5-3-1-2-4-6-8-10/h7,9H,1-6,8,10H2/b9-7+
InChIKeyFSEAROBGASFDSZ-VQHVLOKHSA-N
XLogP1.94
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-iminooctan-1-amine?
The IUPAC name of 8-iminooctan-1-amine (CID 57197661) is 8-iminooctan-1-amine.
What is the SMILES notation for 8-iminooctan-1-amine?
The canonical SMILES for 8-iminooctan-1-amine is [H]/N=C/CCCCCCCN.
What is the InChIKey of 8-iminooctan-1-amine?
The InChIKey is FSEAROBGASFDSZ-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H18N2/c9-7-5-3-1-2-4-6-8-10/h7,9H,1-6,8,10H2/b9-7+.
What are the key properties of 8-iminooctan-1-amine?
8-iminooctan-1-amine has a molecular weight of 142.25 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-iminooctan-1-amine is sourced from PubChem (CID 57197661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).