3-methyl-1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidine

C11H22N2 — CID 170373804

IUPAC3-methyl-1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidine
SMILESCC1CN(CC2CN(C(C)C)C2)C1
InChIInChI=1S/C11H22N2/c1-9(2)13-7-11(8-13)6-12-4-10(3)5-12/h9-11H,4-8H2,1-3H3
InChIKeyIOCUGBVTWHODTM-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.28
Rot. Bonds3

About 3-methyl-1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidine

3-methyl-1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidine (PubChem CID 170373804) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 3-methyl-1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidine.

Molecular Properties

Compound Name3-methyl-1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidine
PubChem CID170373804
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name3-methyl-1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidine
SMILESCC1CN(CC2CN(C(C)C)C2)C1
InChIInChI=1S/C11H22N2/c1-9(2)13-7-11(8-13)6-12-4-10(3)5-12/h9-11H,4-8H2,1-3H3
InChIKeyIOCUGBVTWHODTM-UHFFFAOYSA-N
XLogP1.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-yl-6-[(1-propan-2-ylazetidin-3-yl)methyl]-2,6-diazaspiro[3.3]heptane
CID 167417706
3-(4-methylphenyl)-1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidine
CID 142368102
N-methyl-N'-[1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidin-3-yl]ethane-1,2-diamine
CID 167282500
1-(cyclopentylmethyl)-3-methylazetidine;ethane
CID 170635861
5-propan-2-yl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 164782571
3-ethyl-5-methyl-1-propan-2-ylpiperidine
CID 20730096
7-methyl-2-[(1-propan-2-ylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 174168118
2,6-dimethyl-1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 167417683
3-(fluoromethyl)-1-propan-2-ylazetidine
CID 118375071
(3R,6R)-3,6-dimethyl-1-propan-2-ylazepane
CID 174341942
1-propan-2-ylazetidin-3-amine;hydrochloride
CID 134588428
1-[(1-ethylazetidin-3-yl)methyl]-4-propan-2-ylpiperazine
CID 134414100

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidine?
The IUPAC name of 3-methyl-1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidine (CID 170373804) is 3-methyl-1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidine.
What is the SMILES notation for 3-methyl-1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidine?
The canonical SMILES for 3-methyl-1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidine is CC1CN(CC2CN(C(C)C)C2)C1.
What is the InChIKey of 3-methyl-1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidine?
The InChIKey is IOCUGBVTWHODTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-9(2)13-7-11(8-13)6-12-4-10(3)5-12/h9-11H,4-8H2,1-3H3.
What are the key properties of 3-methyl-1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidine?
3-methyl-1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidine has a molecular weight of 182.31 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidine is sourced from PubChem (CID 170373804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).