3-(2,4-dimethylpentan-2-yl)-1-propan-2-ylazetidine

C13H27N — CID 167001874

IUPAC3-(2,4-dimethylpentan-2-yl)-1-propan-2-ylazetidine
SMILESCC(C)CC(C)(C)C1CN(C(C)C)C1
InChIInChI=1S/C13H27N/c1-10(2)7-13(5,6)12-8-14(9-12)11(3)4/h10-12H,7-9H2,1-6H3
InChIKeyZDHLKGUDWLXEOU-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.40
Rot. Bonds4

About 3-(2,4-dimethylpentan-2-yl)-1-propan-2-ylazetidine

3-(2,4-dimethylpentan-2-yl)-1-propan-2-ylazetidine (PubChem CID 167001874) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 3-(2,4-dimethylpentan-2-yl)-1-propan-2-ylazetidine.

Molecular Properties

Compound Name3-(2,4-dimethylpentan-2-yl)-1-propan-2-ylazetidine
PubChem CID167001874
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name3-(2,4-dimethylpentan-2-yl)-1-propan-2-ylazetidine
SMILESCC(C)CC(C)(C)C1CN(C(C)C)C1
InChIInChI=1S/C13H27N/c1-10(2)7-13(5,6)12-8-14(9-12)11(3)4/h10-12H,7-9H2,1-6H3
InChIKeyZDHLKGUDWLXEOU-UHFFFAOYSA-N
XLogP3.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(1-propan-2-ylazetidin-3-yl)propan-2-yl]pyrrolidine
CID 130233659
4-(2,4-dimethylpentan-2-yl)-1-(2-methylbutan-2-yl)piperidine
CID 153330318
3-(2-methylbutan-2-yl)-1-propan-2-ylpiperidine
CID 146388853
4-(2,4-dimethylpentan-2-yl)-1-propylpiperidine
CID 177203749
1-(3-methylbutyl)-3-[2-methyl-4-[1-(3-methylbutyl)azetidin-3-yl]pentan-2-yl]azetidine
CID 130306051
2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]propan-2-ol
CID 170928468
3-(3,3-dimethylbutyl)-1-propan-2-ylazetidine
CID 176760635
5-(2-methylpropyl)-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 146572479
(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol
CID 158126108
3,4-dimethyl-1-propan-2-ylpyrrolidine
CID 20737893
2-ethyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 58914458
N-(2-methylpropyl)-1-propan-2-ylazetidin-3-amine
CID 155088141

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylpentan-2-yl)-1-propan-2-ylazetidine?
The IUPAC name of 3-(2,4-dimethylpentan-2-yl)-1-propan-2-ylazetidine (CID 167001874) is 3-(2,4-dimethylpentan-2-yl)-1-propan-2-ylazetidine.
What is the SMILES notation for 3-(2,4-dimethylpentan-2-yl)-1-propan-2-ylazetidine?
The canonical SMILES for 3-(2,4-dimethylpentan-2-yl)-1-propan-2-ylazetidine is CC(C)CC(C)(C)C1CN(C(C)C)C1.
What is the InChIKey of 3-(2,4-dimethylpentan-2-yl)-1-propan-2-ylazetidine?
The InChIKey is ZDHLKGUDWLXEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-10(2)7-13(5,6)12-8-14(9-12)11(3)4/h10-12H,7-9H2,1-6H3.
What are the key properties of 3-(2,4-dimethylpentan-2-yl)-1-propan-2-ylazetidine?
3-(2,4-dimethylpentan-2-yl)-1-propan-2-ylazetidine has a molecular weight of 197.37 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylpentan-2-yl)-1-propan-2-ylazetidine is sourced from PubChem (CID 167001874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).