N-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine

C18H26N6 — CID 126919761

IUPACN-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
SMILESCN(CCc1nccn1C)C1CN(c2cc3c(nn2)CCCC3)C1
InChIInChI=1S/C18H26N6/c1-22(9-7-17-19-8-10-23(17)2)15-12-24(13-15)18-11-14-5-3-4-6-16(14)20-21-18/h8,10-11,15H,3-7,9,12-13H2,1-2H3
InChIKeyIZISYNMCKKSNSM-UHFFFAOYSA-N
MW326.45 g/mol
LogP1.45
Rot. Bonds5

About N-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine

N-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine (PubChem CID 126919761) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is N-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
PubChem CID126919761
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC NameN-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
SMILESCN(CCc1nccn1C)C1CN(c2cc3c(nn2)CCCC3)C1
InChIInChI=1S/C18H26N6/c1-22(9-7-17-19-8-10-23(17)2)15-12-24(13-15)18-11-14-5-3-4-6-16(14)20-21-18/h8,10-11,15H,3-7,9,12-13H2,1-2H3
InChIKeyIZISYNMCKKSNSM-UHFFFAOYSA-N
XLogP1.45
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrazin-2-one
CID 126918988
1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methyl-N-[2-(triazol-1-yl)ethyl]azetidin-3-amine
CID 126919032
N-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919770
6-methyl-3-[2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]ethyl]pyrimidin-4-one
CID 126919705
1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)azetidin-3-amine
CID 126919204
1-[[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]methyl]cyclobutan-1-ol
CID 126919871
N-methyl-N-(1,2-oxazol-3-ylmethyl)-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919780
N-[(2-cyclobutylpyrimidin-5-yl)methyl]-N-methyl-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919708
1-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]cyclopentan-1-ol
CID 126919169
1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)azetidin-3-amine
CID 126918908
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919626
N-[(2-cyclopropylpyrimidin-4-yl)methyl]-1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methylazetidin-3-amine
CID 126919008

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine?
The IUPAC name of N-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine (CID 126919761) is N-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine.
What is the SMILES notation for N-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine?
The canonical SMILES for N-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine is CN(CCc1nccn1C)C1CN(c2cc3c(nn2)CCCC3)C1.
What is the InChIKey of N-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine?
The InChIKey is IZISYNMCKKSNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c1-22(9-7-17-19-8-10-23(17)2)15-12-24(13-15)18-11-14-5-3-4-6-16(14)20-21-18/h8,10-11,15H,3-7,9,12-13H2,1-2H3.
What are the key properties of N-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine?
N-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine has a molecular weight of 326.45 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine is sourced from PubChem (CID 126919761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).