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

C18H28N4O — CID 126919873

IUPAC2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]cyclohexan-1-ol
SMILESCN(C1CN(c2cc3c(nn2)CCCC3)C1)C1CCCCC1O
InChIInChI=1S/C18H28N4O/c1-21(16-8-4-5-9-17(16)23)14-11-22(12-14)18-10-13-6-2-3-7-15(13)19-20-18/h10,14,16-17,23H,2-9,11-12H2,1H3
InChIKeyVGEFCJVEHDNZAN-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.78
Rot. Bonds3

About 2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]cyclohexan-1-ol

2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]cyclohexan-1-ol (PubChem CID 126919873) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]cyclohexan-1-ol
PubChem CID126919873
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]cyclohexan-1-ol
SMILESCN(C1CN(c2cc3c(nn2)CCCC3)C1)C1CCCCC1O
InChIInChI=1S/C18H28N4O/c1-21(16-8-4-5-9-17(16)23)14-11-22(12-14)18-10-13-6-2-3-7-15(13)19-20-18/h10,14,16-17,23H,2-9,11-12H2,1H3
InChIKeyVGEFCJVEHDNZAN-UHFFFAOYSA-N
XLogP1.78
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]methyl]cyclobutan-1-ol
CID 126919871
1-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]cyclopentan-1-ol
CID 126919169
N-benzyl-N-methyl-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919881
N-methyl-N-(1,2-oxazol-3-ylmethyl)-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919780
6-tert-butyl-N-methyl-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]pyridazin-3-amine
CID 126919645
1-cyclopropyl-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]methanamine
CID 126919333
N-[(2-cyclobutylpyrimidin-5-yl)methyl]-N-methyl-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919708
N-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919723
N,5-dimethyl-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]-1,2-oxazole-4-carboxamide
CID 126919519
N-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919761
N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N,5-dimethylpyrazine-2-carboxamide
CID 126918828
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

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]cyclohexan-1-ol?
The IUPAC name of 2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]cyclohexan-1-ol (CID 126919873) is 2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]cyclohexan-1-ol is CN(C1CN(c2cc3c(nn2)CCCC3)C1)C1CCCCC1O.
What is the InChIKey of 2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]cyclohexan-1-ol?
The InChIKey is VGEFCJVEHDNZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-21(16-8-4-5-9-17(16)23)14-11-22(12-14)18-10-13-6-2-3-7-15(13)19-20-18/h10,14,16-17,23H,2-9,11-12H2,1H3.
What are the key properties of 2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]cyclohexan-1-ol?
2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]cyclohexan-1-ol has a molecular weight of 316.45 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 126919873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).