10-propyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine

C12H22N2 — CID 134839480

IUPAC10-propyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine
SMILESCCCC1CCCCN2CCCN=C12
InChIInChI=1S/C12H22N2/c1-2-6-11-7-3-4-9-14-10-5-8-13-12(11)14/h11H,2-10H2,1H3
InChIKeyUZDJIQPRLZHSEQ-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.69
Rot. Bonds2

About 10-propyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine

10-propyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine (PubChem CID 134839480) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 10-propyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine.

Molecular Properties

Compound Name10-propyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine
PubChem CID134839480
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name10-propyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine
SMILESCCCC1CCCCN2CCCN=C12
InChIInChI=1S/C12H22N2/c1-2-6-11-7-3-4-9-14-10-5-8-13-12(11)14/h11H,2-10H2,1H3
InChIKeyUZDJIQPRLZHSEQ-UHFFFAOYSA-N
XLogP2.69
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-propyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine?
The IUPAC name of 10-propyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine (CID 134839480) is 10-propyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine.
What is the SMILES notation for 10-propyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine?
The canonical SMILES for 10-propyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine is CCCC1CCCCN2CCCN=C12.
What is the InChIKey of 10-propyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine?
The InChIKey is UZDJIQPRLZHSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-2-6-11-7-3-4-9-14-10-5-8-13-12(11)14/h11H,2-10H2,1H3.
What are the key properties of 10-propyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine?
10-propyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine has a molecular weight of 194.32 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-propyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine is sourced from PubChem (CID 134839480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).