methane;3-[(1-methylcyclobutyl)methyl]-3,8-diazabicyclo[3.2.1]octane

C13H26N2 — CID 178038134

IUPACmethane;3-[(1-methylcyclobutyl)methyl]-3,8-diazabicyclo[3.2.1]octane
SMILESC.CC1(CN2CC3CCC(C2)N3)CCC1
InChIInChI=1S/C12H22N2.CH4/c1-12(5-2-6-12)9-14-7-10-3-4-11(8-14)13-10;/h10-11,13H,2-9H2,1H3;1H4
InChIKeyGXAWPSQHMOHXBF-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.25
Rot. Bonds2

About methane;3-[(1-methylcyclobutyl)methyl]-3,8-diazabicyclo[3.2.1]octane

methane;3-[(1-methylcyclobutyl)methyl]-3,8-diazabicyclo[3.2.1]octane (PubChem CID 178038134) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is methane;3-[(1-methylcyclobutyl)methyl]-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Namemethane;3-[(1-methylcyclobutyl)methyl]-3,8-diazabicyclo[3.2.1]octane
PubChem CID178038134
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Namemethane;3-[(1-methylcyclobutyl)methyl]-3,8-diazabicyclo[3.2.1]octane
SMILESC.CC1(CN2CC3CCC(C2)N3)CCC1
InChIInChI=1S/C12H22N2.CH4/c1-12(5-2-6-12)9-14-7-10-3-4-11(8-14)13-10;/h10-11,13H,2-9H2,1H3;1H4
InChIKeyGXAWPSQHMOHXBF-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze methane;3-[(1-methylcyclobutyl)methyl]-3,8-diazabicyclo[3.2.1]octane 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

(3R,5S)-3,5-dimethyl-1-[(1-methylcyclobutyl)methyl]piperazine
CID 130956949
5-[(1-methylcyclobutyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 130174300
3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane
CID 134505389
1-[(1-methylcyclopentyl)methyl]azetidin-3-amine
CID 130577986
1-[(1-methylcyclobutyl)methyl]azetidine-3-carboxylic acid
CID 130601346
4-ethyl-6-methyl-1-[(1-methylcyclopentyl)methyl]-1,5-diazocane
CID 55261020
1-[(1-methylcyclobutyl)methyl]piperidine-3-carbaldehyde
CID 130601547
2-[(1-methylcyclobutyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 107094604
3-[(1-methylcyclopropyl)methyl]-3-azabicyclo[3.1.0]hexane
CID 170374649
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine
CID 114108302
3-(bromomethyl)-5-methyl-1-[(1-methylcyclobutyl)methyl]piperidine
CID 130855798
4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-4-methylpiperidine
CID 79180872

Frequently Asked Questions

What is the IUPAC name of methane;3-[(1-methylcyclobutyl)methyl]-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of methane;3-[(1-methylcyclobutyl)methyl]-3,8-diazabicyclo[3.2.1]octane (CID 178038134) is methane;3-[(1-methylcyclobutyl)methyl]-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for methane;3-[(1-methylcyclobutyl)methyl]-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for methane;3-[(1-methylcyclobutyl)methyl]-3,8-diazabicyclo[3.2.1]octane is C.CC1(CN2CC3CCC(C2)N3)CCC1.
What is the InChIKey of methane;3-[(1-methylcyclobutyl)methyl]-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is GXAWPSQHMOHXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2.CH4/c1-12(5-2-6-12)9-14-7-10-3-4-11(8-14)13-10;/h10-11,13H,2-9H2,1H3;1H4.
What are the key properties of methane;3-[(1-methylcyclobutyl)methyl]-3,8-diazabicyclo[3.2.1]octane?
methane;3-[(1-methylcyclobutyl)methyl]-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 210.36 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-[(1-methylcyclobutyl)methyl]-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 178038134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).