(2-fluoro-7,8-dimethyl-8,9-dihydropyrido[1,2-a]azepin-6-yl)methanimine

C13H15FN2 — CID 123657196

IUPAC(2-fluoro-7,8-dimethyl-8,9-dihydropyrido[1,2-a]azepin-6-yl)methanimine
SMILES[H]/N=C/C1=C(C)C(C)CC=C2C=C(F)C=CN21
InChIInChI=1S/C13H15FN2/c1-9-3-4-12-7-11(14)5-6-16(12)13(8-15)10(9)2/h4-9,15H,3H2,1-2H3/b15-8+
InChIKeyYVCUUOGNAADEEP-OVCLIPMQSA-N
MW218.28 g/mol
LogP3.52
Rot. Bonds1

About (2-fluoro-7,8-dimethyl-8,9-dihydropyrido[1,2-a]azepin-6-yl)methanimine

(2-fluoro-7,8-dimethyl-8,9-dihydropyrido[1,2-a]azepin-6-yl)methanimine (PubChem CID 123657196) has the molecular formula C13H15FN2 and a molecular weight of 218.28 g/mol. Its IUPAC name is (2-fluoro-7,8-dimethyl-8,9-dihydropyrido[1,2-a]azepin-6-yl)methanimine.

Molecular Properties

Compound Name(2-fluoro-7,8-dimethyl-8,9-dihydropyrido[1,2-a]azepin-6-yl)methanimine
PubChem CID123657196
Molecular FormulaC13H15FN2
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC Name(2-fluoro-7,8-dimethyl-8,9-dihydropyrido[1,2-a]azepin-6-yl)methanimine
SMILES[H]/N=C/C1=C(C)C(C)CC=C2C=C(F)C=CN21
InChIInChI=1S/C13H15FN2/c1-9-3-4-12-7-11(14)5-6-16(12)13(8-15)10(9)2/h4-9,15H,3H2,1-2H3/b15-8+
InChIKeyYVCUUOGNAADEEP-OVCLIPMQSA-N
XLogP3.52
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 53.52
H-Bond Donors ≤ 51
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 (2-fluoro-7,8-dimethyl-8,9-dihydropyrido[1,2-a]azepin-6-yl)methanimine?
The IUPAC name of (2-fluoro-7,8-dimethyl-8,9-dihydropyrido[1,2-a]azepin-6-yl)methanimine (CID 123657196) is (2-fluoro-7,8-dimethyl-8,9-dihydropyrido[1,2-a]azepin-6-yl)methanimine.
What is the SMILES notation for (2-fluoro-7,8-dimethyl-8,9-dihydropyrido[1,2-a]azepin-6-yl)methanimine?
The canonical SMILES for (2-fluoro-7,8-dimethyl-8,9-dihydropyrido[1,2-a]azepin-6-yl)methanimine is [H]/N=C/C1=C(C)C(C)CC=C2C=C(F)C=CN21.
What is the InChIKey of (2-fluoro-7,8-dimethyl-8,9-dihydropyrido[1,2-a]azepin-6-yl)methanimine?
The InChIKey is YVCUUOGNAADEEP-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H15FN2/c1-9-3-4-12-7-11(14)5-6-16(12)13(8-15)10(9)2/h4-9,15H,3H2,1-2H3/b15-8+.
What are the key properties of (2-fluoro-7,8-dimethyl-8,9-dihydropyrido[1,2-a]azepin-6-yl)methanimine?
(2-fluoro-7,8-dimethyl-8,9-dihydropyrido[1,2-a]azepin-6-yl)methanimine has a molecular weight of 218.28 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-7,8-dimethyl-8,9-dihydropyrido[1,2-a]azepin-6-yl)methanimine is sourced from PubChem (CID 123657196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).