azepan-2-ylmethanimine

C7H14N2 — CID 88721804

IUPACazepan-2-ylmethanimine
SMILES[H]/N=C/C1CCCCCN1
InChIInChI=1S/C7H14N2/c8-6-7-4-2-1-3-5-9-7/h6-9H,1-5H2/b8-6+
InChIKeyWWQZXQIHQGHVKI-SOFGYWHQSA-N
MW126.20 g/mol
LogP1.17
Rot. Bonds1

About azepan-2-ylmethanimine

azepan-2-ylmethanimine (PubChem CID 88721804) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is azepan-2-ylmethanimine.

Molecular Properties

Compound Nameazepan-2-ylmethanimine
PubChem CID88721804
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Nameazepan-2-ylmethanimine
SMILES[H]/N=C/C1CCCCCN1
InChIInChI=1S/C7H14N2/c8-6-7-4-2-1-3-5-9-7/h6-9H,1-5H2/b8-6+
InChIKeyWWQZXQIHQGHVKI-SOFGYWHQSA-N
XLogP1.17
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.17
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 azepan-2-ylmethanimine?
The IUPAC name of azepan-2-ylmethanimine (CID 88721804) is azepan-2-ylmethanimine.
What is the SMILES notation for azepan-2-ylmethanimine?
The canonical SMILES for azepan-2-ylmethanimine is [H]/N=C/C1CCCCCN1.
What is the InChIKey of azepan-2-ylmethanimine?
The InChIKey is WWQZXQIHQGHVKI-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H14N2/c8-6-7-4-2-1-3-5-9-7/h6-9H,1-5H2/b8-6+.
What are the key properties of azepan-2-ylmethanimine?
azepan-2-ylmethanimine has a molecular weight of 126.20 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-2-ylmethanimine is sourced from PubChem (CID 88721804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).