3-(4,4-dimethylpentyl)-3-methylazetidine

C11H23N — CID 176961474

IUPAC3-(4,4-dimethylpentyl)-3-methylazetidine
SMILESCC(C)(C)CCCC1(C)CNC1
InChIInChI=1S/C11H23N/c1-10(2,3)6-5-7-11(4)8-12-9-11/h12H,5-9H2,1-4H3
InChIKeyDTEANLXCEGSNES-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.81
Rot. Bonds3

About 3-(4,4-dimethylpentyl)-3-methylazetidine

3-(4,4-dimethylpentyl)-3-methylazetidine (PubChem CID 176961474) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 3-(4,4-dimethylpentyl)-3-methylazetidine.

Molecular Properties

Compound Name3-(4,4-dimethylpentyl)-3-methylazetidine
PubChem CID176961474
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name3-(4,4-dimethylpentyl)-3-methylazetidine
SMILESCC(C)(C)CCCC1(C)CNC1
InChIInChI=1S/C11H23N/c1-10(2,3)6-5-7-11(4)8-12-9-11/h12H,5-9H2,1-4H3
InChIKeyDTEANLXCEGSNES-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-butyl-3-methylazetidine;ethane
CID 145389820
1-(6,6-dimethylheptyl)-1-methylcyclopropane
CID 123317672
1-[5-(5,5-dimethylhexoxy)pentyl]-1-methylcyclopropane
CID 170104308
3-(4-bromophenyl)-3-(4,4-dimethylpentyl)azetidine
CID 114210618
[2-methyl-4-(3-methylazetidin-3-yl)butan-2-yl] carbamate
CID 175831584
N,2-dimethyl-N-[(3-methylazetidin-3-yl)methyl]propan-2-amine
CID 130806357
tert-butyl N-[2-(3-methylazetidin-3-yl)ethyl]carbamate
CID 105467938
1-(7,7-dimethyloctyl)-2-[5-(1-methylcyclopropyl)pentyl]benzene
CID 164595052
1-(6,6-dimethylheptyl)-2,3-dimethyl-4-[5-(1-methylcyclopropyl)pentyl]benzene
CID 174103814
N-ethyl-2-(3-methylazetidin-3-yl)ethanamine;molecular hydrogen;propane
CID 166533180
(3S)-3-butyl-3-methylpyrrolidine;ethane;propane
CID 171834249
barium(2+);hydride;2,2,6,6-tetramethylheptane
CID 173027218

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethylpentyl)-3-methylazetidine?
The IUPAC name of 3-(4,4-dimethylpentyl)-3-methylazetidine (CID 176961474) is 3-(4,4-dimethylpentyl)-3-methylazetidine.
What is the SMILES notation for 3-(4,4-dimethylpentyl)-3-methylazetidine?
The canonical SMILES for 3-(4,4-dimethylpentyl)-3-methylazetidine is CC(C)(C)CCCC1(C)CNC1.
What is the InChIKey of 3-(4,4-dimethylpentyl)-3-methylazetidine?
The InChIKey is DTEANLXCEGSNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-10(2,3)6-5-7-11(4)8-12-9-11/h12H,5-9H2,1-4H3.
What are the key properties of 3-(4,4-dimethylpentyl)-3-methylazetidine?
3-(4,4-dimethylpentyl)-3-methylazetidine has a molecular weight of 169.31 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethylpentyl)-3-methylazetidine is sourced from PubChem (CID 176961474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).