2-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methylamino]cyclobutan-1-ol

C16H24N4O — CID 126919448

IUPAC2-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methylamino]cyclobutan-1-ol
SMILESOC1CCC1NCC1CN(c2cc3c(nn2)CCCC3)C1
InChIInChI=1S/C16H24N4O/c21-15-6-5-14(15)17-8-11-9-20(10-11)16-7-12-3-1-2-4-13(12)18-19-16/h7,11,14-15,17,21H,1-6,8-10H2
InChIKeyYAHRGJBZKBRDQT-UHFFFAOYSA-N
MW288.40 g/mol
LogP0.90
Rot. Bonds4

About 2-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methylamino]cyclobutan-1-ol

2-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methylamino]cyclobutan-1-ol (PubChem CID 126919448) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 2-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methylamino]cyclobutan-1-ol.

Molecular Properties

Compound Name2-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methylamino]cyclobutan-1-ol
PubChem CID126919448
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name2-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methylamino]cyclobutan-1-ol
SMILESOC1CCC1NCC1CN(c2cc3c(nn2)CCCC3)C1
InChIInChI=1S/C16H24N4O/c21-15-6-5-14(15)17-8-11-9-20(10-11)16-7-12-3-1-2-4-13(12)18-19-16/h7,11,14-15,17,21H,1-6,8-10H2
InChIKeyYAHRGJBZKBRDQT-UHFFFAOYSA-N
XLogP0.90
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methylamino]cyclobutan-1-ol with MolForge

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Related Compounds

2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]cyclopentan-1-ol
CID 126918719
1-cyclopropyl-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]methanamine
CID 126919333
N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine
CID 126919393
1-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol
CID 126918758
N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 126919428
N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide
CID 126918555
N-(1H-imidazol-5-ylmethyl)-1-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methanamine
CID 126919375
N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]azepane-1-sulfonamide
CID 126918618
N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]pyrazin-2-amine
CID 126918562
3-[3-(fluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydrocinnoline
CID 175648038
N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-carboxamide
CID 126919263
N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-5-methylpyrimidin-2-amine
CID 126918682

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methylamino]cyclobutan-1-ol?
The IUPAC name of 2-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methylamino]cyclobutan-1-ol (CID 126919448) is 2-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methylamino]cyclobutan-1-ol.
What is the SMILES notation for 2-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methylamino]cyclobutan-1-ol?
The canonical SMILES for 2-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methylamino]cyclobutan-1-ol is OC1CCC1NCC1CN(c2cc3c(nn2)CCCC3)C1.
What is the InChIKey of 2-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methylamino]cyclobutan-1-ol?
The InChIKey is YAHRGJBZKBRDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c21-15-6-5-14(15)17-8-11-9-20(10-11)16-7-12-3-1-2-4-13(12)18-19-16/h7,11,14-15,17,21H,1-6,8-10H2.
What are the key properties of 2-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methylamino]cyclobutan-1-ol?
2-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methylamino]cyclobutan-1-ol has a molecular weight of 288.40 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methylamino]cyclobutan-1-ol is sourced from PubChem (CID 126919448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).