7-benzylimino-N-tert-butylcyclohepta-1,3,5-trien-1-amine

C18H22N2 — CID 767431

IUPAC7-benzylimino-N-tert-butylcyclohepta-1,3,5-trien-1-amine
SMILESCC(C)(C)Nc1ccccc/c1=N\Cc1ccccc1
InChIInChI=1S/C18H22N2/c1-18(2,3)20-17-13-9-5-8-12-16(17)19-14-15-10-6-4-7-11-15/h4-13H,14H2,1-3H3,(H,19,20)
InChIKeyNHBYHSXWIAWQGH-UHFFFAOYSA-N
MW266.39 g/mol
LogP4.00
Rot. Bonds3

About 7-benzylimino-N-tert-butylcyclohepta-1,3,5-trien-1-amine

7-benzylimino-N-tert-butylcyclohepta-1,3,5-trien-1-amine (PubChem CID 767431) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 7-benzylimino-N-tert-butylcyclohepta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name7-benzylimino-N-tert-butylcyclohepta-1,3,5-trien-1-amine
PubChem CID767431
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name7-benzylimino-N-tert-butylcyclohepta-1,3,5-trien-1-amine
SMILESCC(C)(C)Nc1ccccc/c1=N\Cc1ccccc1
InChIInChI=1S/C18H22N2/c1-18(2,3)20-17-13-9-5-8-12-16(17)19-14-15-10-6-4-7-11-15/h4-13H,14H2,1-3H3,(H,19,20)
InChIKeyNHBYHSXWIAWQGH-UHFFFAOYSA-N
XLogP4.00
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-benzylimino-N-tert-butylcyclohepta-1,3,5-trien-1-amine?
The IUPAC name of 7-benzylimino-N-tert-butylcyclohepta-1,3,5-trien-1-amine (CID 767431) is 7-benzylimino-N-tert-butylcyclohepta-1,3,5-trien-1-amine.
What is the SMILES notation for 7-benzylimino-N-tert-butylcyclohepta-1,3,5-trien-1-amine?
The canonical SMILES for 7-benzylimino-N-tert-butylcyclohepta-1,3,5-trien-1-amine is CC(C)(C)Nc1ccccc/c1=N\Cc1ccccc1.
What is the InChIKey of 7-benzylimino-N-tert-butylcyclohepta-1,3,5-trien-1-amine?
The InChIKey is NHBYHSXWIAWQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-18(2,3)20-17-13-9-5-8-12-16(17)19-14-15-10-6-4-7-11-15/h4-13H,14H2,1-3H3,(H,19,20).
What are the key properties of 7-benzylimino-N-tert-butylcyclohepta-1,3,5-trien-1-amine?
7-benzylimino-N-tert-butylcyclohepta-1,3,5-trien-1-amine has a molecular weight of 266.39 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzylimino-N-tert-butylcyclohepta-1,3,5-trien-1-amine is sourced from PubChem (CID 767431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).