7-iminocyclohepta-1,3,5-trien-1-amine

C7H8N2 — CID 6432120

IUPAC7-iminocyclohepta-1,3,5-trien-1-amine
SMILES[H]/N=c1\cccccc1N
InChIInChI=1S/C7H8N2/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H3,8,9)
InChIKeySPGBKYHETUMBKT-UHFFFAOYSA-N
MW120.15 g/mol
LogP0.75
Rot. Bonds

About 7-iminocyclohepta-1,3,5-trien-1-amine

7-iminocyclohepta-1,3,5-trien-1-amine (PubChem CID 6432120) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 7-iminocyclohepta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name7-iminocyclohepta-1,3,5-trien-1-amine
PubChem CID6432120
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name7-iminocyclohepta-1,3,5-trien-1-amine
SMILES[H]/N=c1\cccccc1N
InChIInChI=1S/C7H8N2/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H3,8,9)
InChIKeySPGBKYHETUMBKT-UHFFFAOYSA-N
XLogP0.75
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-iminocyclohepta-1,3,5-trien-1-amine?
The IUPAC name of 7-iminocyclohepta-1,3,5-trien-1-amine (CID 6432120) is 7-iminocyclohepta-1,3,5-trien-1-amine.
What is the SMILES notation for 7-iminocyclohepta-1,3,5-trien-1-amine?
The canonical SMILES for 7-iminocyclohepta-1,3,5-trien-1-amine is [H]/N=c1\cccccc1N.
What is the InChIKey of 7-iminocyclohepta-1,3,5-trien-1-amine?
The InChIKey is SPGBKYHETUMBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H3,8,9).
What are the key properties of 7-iminocyclohepta-1,3,5-trien-1-amine?
7-iminocyclohepta-1,3,5-trien-1-amine has a molecular weight of 120.15 g/mol, XLogP of 0.75, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iminocyclohepta-1,3,5-trien-1-amine is sourced from PubChem (CID 6432120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).