4,5,6,7,8,10,11,12,13,13a-decahydro-1H-pyrido[1,2-a][1,4]diazecine

C12H22N2 — CID 70133276

IUPAC4,5,6,7,8,10,11,12,13,13a-decahydro-1H-pyrido[1,2-a][1,4]diazecine
SMILESC1=N/CC2CCCCN2CCCCC/1
InChIInChI=1S/C12H22N2/c1-2-5-9-14-10-6-3-7-12(14)11-13-8-4-1/h8,12H,1-7,9-11H2/b13-8+
InChIKeyZYJNBQVMCUAPJI-MDWZMJQESA-N
MW194.32 g/mol
LogP2.49
Rot. Bonds

About 4,5,6,7,8,10,11,12,13,13a-decahydro-1H-pyrido[1,2-a][1,4]diazecine

4,5,6,7,8,10,11,12,13,13a-decahydro-1H-pyrido[1,2-a][1,4]diazecine (PubChem CID 70133276) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 4,5,6,7,8,10,11,12,13,13a-decahydro-1H-pyrido[1,2-a][1,4]diazecine.

Molecular Properties

Compound Name4,5,6,7,8,10,11,12,13,13a-decahydro-1H-pyrido[1,2-a][1,4]diazecine
PubChem CID70133276
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name4,5,6,7,8,10,11,12,13,13a-decahydro-1H-pyrido[1,2-a][1,4]diazecine
SMILESC1=N/CC2CCCCN2CCCCC/1
InChIInChI=1S/C12H22N2/c1-2-5-9-14-10-6-3-7-12(14)11-13-8-4-1/h8,12H,1-7,9-11H2/b13-8+
InChIKeyZYJNBQVMCUAPJI-MDWZMJQESA-N
XLogP2.49
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,5,6,7,8,10,11,12,13,13a-decahydro-1H-pyrido[1,2-a][1,4]diazecine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7,8,10,11,12,13,13a-decahydro-1H-pyrido[1,2-a][1,4]diazecine?
The IUPAC name of 4,5,6,7,8,10,11,12,13,13a-decahydro-1H-pyrido[1,2-a][1,4]diazecine (CID 70133276) is 4,5,6,7,8,10,11,12,13,13a-decahydro-1H-pyrido[1,2-a][1,4]diazecine.
What is the SMILES notation for 4,5,6,7,8,10,11,12,13,13a-decahydro-1H-pyrido[1,2-a][1,4]diazecine?
The canonical SMILES for 4,5,6,7,8,10,11,12,13,13a-decahydro-1H-pyrido[1,2-a][1,4]diazecine is C1=N/CC2CCCCN2CCCCC/1.
What is the InChIKey of 4,5,6,7,8,10,11,12,13,13a-decahydro-1H-pyrido[1,2-a][1,4]diazecine?
The InChIKey is ZYJNBQVMCUAPJI-MDWZMJQESA-N. The full InChI is InChI=1S/C12H22N2/c1-2-5-9-14-10-6-3-7-12(14)11-13-8-4-1/h8,12H,1-7,9-11H2/b13-8+.
What are the key properties of 4,5,6,7,8,10,11,12,13,13a-decahydro-1H-pyrido[1,2-a][1,4]diazecine?
4,5,6,7,8,10,11,12,13,13a-decahydro-1H-pyrido[1,2-a][1,4]diazecine has a molecular weight of 194.32 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7,8,10,11,12,13,13a-decahydro-1H-pyrido[1,2-a][1,4]diazecine is sourced from PubChem (CID 70133276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).