1-methyl-3-(3-methyl-2-bicyclo[2.2.1]heptanyl)-1,3-diazetidine

C11H20N2 — CID 123308374

IUPAC1-methyl-3-(3-methyl-2-bicyclo[2.2.1]heptanyl)-1,3-diazetidine
SMILESCC1C2CCC(C2)C1N1CN(C)C1
InChIInChI=1S/C11H20N2/c1-8-9-3-4-10(5-9)11(8)13-6-12(2)7-13/h8-11H,3-7H2,1-2H3
InChIKeyCKQCPGPLZPJKRD-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.58
Rot. Bonds1

About 1-methyl-3-(3-methyl-2-bicyclo[2.2.1]heptanyl)-1,3-diazetidine

1-methyl-3-(3-methyl-2-bicyclo[2.2.1]heptanyl)-1,3-diazetidine (PubChem CID 123308374) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-methyl-3-(3-methyl-2-bicyclo[2.2.1]heptanyl)-1,3-diazetidine.

Molecular Properties

Compound Name1-methyl-3-(3-methyl-2-bicyclo[2.2.1]heptanyl)-1,3-diazetidine
PubChem CID123308374
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-methyl-3-(3-methyl-2-bicyclo[2.2.1]heptanyl)-1,3-diazetidine
SMILESCC1C2CCC(C2)C1N1CN(C)C1
InChIInChI=1S/C11H20N2/c1-8-9-3-4-10(5-9)11(8)13-6-12(2)7-13/h8-11H,3-7H2,1-2H3
InChIKeyCKQCPGPLZPJKRD-UHFFFAOYSA-N
XLogP1.58
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-3-(3-methyl-2-bicyclo[2.2.1]heptanyl)-1,3-diazetidine 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

(1R,3R,4S)-2,3-dimethylbicyclo[2.2.1]heptane
CID 163414856
(1R,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane
CID 91107187
(1S,4R)-5-methylbicyclo[2.1.1]hexane
CID 154518789
2,3-dimethylbicyclo[2.2.1]heptane;methoxymethane
CID 123361313
(4S)-2,3-dimethyl-2-azabicyclo[2.2.1]heptane
CID 129108201
(1S,2S,3S,4S)-3-methylbicyclo[2.2.1]heptan-2-ol
CID 131155983
1,3,5-tris[4-(3,5-dimethyl-1,3,5-triazinan-1-yl)cyclohexyl]-1,3,5-triazinane
CID 126584438
(1R,2R,3S,4S)-2-[2-[(1S,2S,3R,4R)-3-ethyl-2-bicyclo[2.2.1]heptanyl]ethyl]-3-[2-[(1R,2R,3S,4S)-3-methyl-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 59960440
N,3-dimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 138397495
(1R,3R,6R,8R)-tricyclo[4.4.0.03,8]decane
CID 91618084
(2R,6R)-tricyclo[4.2.1.12,5]decane
CID 134081586
(1R,4S)-2-methyl-3-propylbicyclo[2.2.1]heptane
CID 58729228

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-methyl-2-bicyclo[2.2.1]heptanyl)-1,3-diazetidine?
The IUPAC name of 1-methyl-3-(3-methyl-2-bicyclo[2.2.1]heptanyl)-1,3-diazetidine (CID 123308374) is 1-methyl-3-(3-methyl-2-bicyclo[2.2.1]heptanyl)-1,3-diazetidine.
What is the SMILES notation for 1-methyl-3-(3-methyl-2-bicyclo[2.2.1]heptanyl)-1,3-diazetidine?
The canonical SMILES for 1-methyl-3-(3-methyl-2-bicyclo[2.2.1]heptanyl)-1,3-diazetidine is CC1C2CCC(C2)C1N1CN(C)C1.
What is the InChIKey of 1-methyl-3-(3-methyl-2-bicyclo[2.2.1]heptanyl)-1,3-diazetidine?
The InChIKey is CKQCPGPLZPJKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-8-9-3-4-10(5-9)11(8)13-6-12(2)7-13/h8-11H,3-7H2,1-2H3.
What are the key properties of 1-methyl-3-(3-methyl-2-bicyclo[2.2.1]heptanyl)-1,3-diazetidine?
1-methyl-3-(3-methyl-2-bicyclo[2.2.1]heptanyl)-1,3-diazetidine has a molecular weight of 180.29 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-methyl-2-bicyclo[2.2.1]heptanyl)-1,3-diazetidine is sourced from PubChem (CID 123308374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).