2-ethyl-2,7-dimethylpyrimido[1,2-a]azocine

C14H18N2 — CID 91186655

IUPAC2-ethyl-2,7-dimethylpyrimido[1,2-a]azocine
SMILESCCC1(C)C=CN2C=C(C)C=CC=CC2=N1
InChIInChI=1S/C14H18N2/c1-4-14(3)9-10-16-11-12(2)7-5-6-8-13(16)15-14/h5-11H,4H2,1-3H3
InChIKeyBBTZIYFVPCNILC-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.41
Rot. Bonds1

About 2-ethyl-2,7-dimethylpyrimido[1,2-a]azocine

2-ethyl-2,7-dimethylpyrimido[1,2-a]azocine (PubChem CID 91186655) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-ethyl-2,7-dimethylpyrimido[1,2-a]azocine.

Molecular Properties

Compound Name2-ethyl-2,7-dimethylpyrimido[1,2-a]azocine
PubChem CID91186655
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-ethyl-2,7-dimethylpyrimido[1,2-a]azocine
SMILESCCC1(C)C=CN2C=C(C)C=CC=CC2=N1
InChIInChI=1S/C14H18N2/c1-4-14(3)9-10-16-11-12(2)7-5-6-8-13(16)15-14/h5-11H,4H2,1-3H3
InChIKeyBBTZIYFVPCNILC-UHFFFAOYSA-N
XLogP3.41
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,1,4-trimethylpyridin-2-imine
CID 23387651
4-tert-butyl-N,1-dimethylpyridin-2-imine
CID 59485522
(5Z,7Z)-2-cyclohexa-1,3-dien-1-yl-1-methyl-4-methylidene-1,3-diazocine
CID 68215789
(7Z)-2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methyl-4-methylidene-5,6-dihydro-1,3-diazocine
CID 89053548
N-ethenyl-5-ethyl-1-methylpyridin-2-imine
CID 89142774
2-ethenyl-N-methylisoquinolin-3-imine
CID 118303833
1-ethenyl-N,5-dimethylpyridin-2-imine
CID 122691861
1-ethenyl-N,4-dimethylpyridin-2-imine
CID 122691863
N,1,5-trimethylpyridin-2-imine
CID 135258651
N,1-bis(ethenyl)-5-methylpyridin-2-imine
CID 139527751
2,2-Dimethylpyrido[1,2-a]pyrimidine;ethane
CID 142063286
(2Z)-N-ethenyl-N,N',3-trimethylpenta-2,4-dienimidamide
CID 142337003

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,7-dimethylpyrimido[1,2-a]azocine?
The IUPAC name of 2-ethyl-2,7-dimethylpyrimido[1,2-a]azocine (CID 91186655) is 2-ethyl-2,7-dimethylpyrimido[1,2-a]azocine.
What is the SMILES notation for 2-ethyl-2,7-dimethylpyrimido[1,2-a]azocine?
The canonical SMILES for 2-ethyl-2,7-dimethylpyrimido[1,2-a]azocine is CCC1(C)C=CN2C=C(C)C=CC=CC2=N1.
What is the InChIKey of 2-ethyl-2,7-dimethylpyrimido[1,2-a]azocine?
The InChIKey is BBTZIYFVPCNILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-4-14(3)9-10-16-11-12(2)7-5-6-8-13(16)15-14/h5-11H,4H2,1-3H3.
What are the key properties of 2-ethyl-2,7-dimethylpyrimido[1,2-a]azocine?
2-ethyl-2,7-dimethylpyrimido[1,2-a]azocine has a molecular weight of 214.31 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,7-dimethylpyrimido[1,2-a]azocine is sourced from PubChem (CID 91186655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).