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

C17H26N4O — CID 126919871

IUPAC1-[[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]methyl]cyclobutan-1-ol
SMILESCN(CC1(O)CCC1)C1CN(c2cc3c(nn2)CCCC3)C1
InChIInChI=1S/C17H26N4O/c1-20(12-17(22)7-4-8-17)14-10-21(11-14)16-9-13-5-2-3-6-15(13)18-19-16/h9,14,22H,2-8,10-12H2,1H3
InChIKeyPUWFGYAHPVVBKR-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.39
Rot. Bonds4

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

1-[[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]methyl]cyclobutan-1-ol (PubChem CID 126919871) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-[[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]methyl]cyclobutan-1-ol
PubChem CID126919871
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name1-[[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]methyl]cyclobutan-1-ol
SMILESCN(CC1(O)CCC1)C1CN(c2cc3c(nn2)CCCC3)C1
InChIInChI=1S/C17H26N4O/c1-20(12-17(22)7-4-8-17)14-10-21(11-14)16-9-13-5-2-3-6-15(13)18-19-16/h9,14,22H,2-8,10-12H2,1H3
InChIKeyPUWFGYAHPVVBKR-UHFFFAOYSA-N
XLogP1.39
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]methyl]cyclobutan-1-ol?
The IUPAC name of 1-[[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]methyl]cyclobutan-1-ol (CID 126919871) is 1-[[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]methyl]cyclobutan-1-ol is CN(CC1(O)CCC1)C1CN(c2cc3c(nn2)CCCC3)C1.
What is the InChIKey of 1-[[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]methyl]cyclobutan-1-ol?
The InChIKey is PUWFGYAHPVVBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-20(12-17(22)7-4-8-17)14-10-21(11-14)16-9-13-5-2-3-6-15(13)18-19-16/h9,14,22H,2-8,10-12H2,1H3.
What are the key properties of 1-[[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]methyl]cyclobutan-1-ol?
1-[[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]methyl]cyclobutan-1-ol has a molecular weight of 302.42 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 126919871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).