3,4,5,7,8,9-hexahydropyrido[1,2-b]diazepine

C9H14N2 — CID 54357801

IUPAC3,4,5,7,8,9-hexahydropyrido[1,2-b]diazepine
SMILESC1=NN2CCCC=C2CCC1
InChIInChI=1S/C9H14N2/c1-3-7-10-11-8-4-2-6-9(11)5-1/h6-7H,1-5,8H2
InChIKeyUKIUESNOSHHFJC-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.14
Rot. Bonds

About 3,4,5,7,8,9-hexahydropyrido[1,2-b]diazepine

3,4,5,7,8,9-hexahydropyrido[1,2-b]diazepine (PubChem CID 54357801) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 3,4,5,7,8,9-hexahydropyrido[1,2-b]diazepine.

Molecular Properties

Compound Name3,4,5,7,8,9-hexahydropyrido[1,2-b]diazepine
PubChem CID54357801
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name3,4,5,7,8,9-hexahydropyrido[1,2-b]diazepine
SMILESC1=NN2CCCC=C2CCC1
InChIInChI=1S/C9H14N2/c1-3-7-10-11-8-4-2-6-9(11)5-1/h6-7H,1-5,8H2
InChIKeyUKIUESNOSHHFJC-UHFFFAOYSA-N
XLogP2.14
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,5,7,8,9-hexahydropyrido[1,2-b]diazepine?
The IUPAC name of 3,4,5,7,8,9-hexahydropyrido[1,2-b]diazepine (CID 54357801) is 3,4,5,7,8,9-hexahydropyrido[1,2-b]diazepine.
What is the SMILES notation for 3,4,5,7,8,9-hexahydropyrido[1,2-b]diazepine?
The canonical SMILES for 3,4,5,7,8,9-hexahydropyrido[1,2-b]diazepine is C1=NN2CCCC=C2CCC1.
What is the InChIKey of 3,4,5,7,8,9-hexahydropyrido[1,2-b]diazepine?
The InChIKey is UKIUESNOSHHFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-3-7-10-11-8-4-2-6-9(11)5-1/h6-7H,1-5,8H2.
What are the key properties of 3,4,5,7,8,9-hexahydropyrido[1,2-b]diazepine?
3,4,5,7,8,9-hexahydropyrido[1,2-b]diazepine has a molecular weight of 150.22 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,7,8,9-hexahydropyrido[1,2-b]diazepine is sourced from PubChem (CID 54357801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).