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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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).