2-methyl-1-[(2R)-3-methylbutan-2-yl]-3-(2-methylpropyl)azetidine

C13H27N — CID 174024707

IUPAC2-methyl-1-[(2R)-3-methylbutan-2-yl]-3-(2-methylpropyl)azetidine
SMILESCC(C)CC1CN([C@H](C)C(C)C)C1C
InChIInChI=1S/C13H27N/c1-9(2)7-13-8-14(12(13)6)11(5)10(3)4/h9-13H,7-8H2,1-6H3/t11-,12?,13?/m1/s1
InChIKeyPFGJHTJPPXZDAB-PNESKVBLSA-N
MW197.37 g/mol
LogP3.40
Rot. Bonds4

About 2-methyl-1-[(2R)-3-methylbutan-2-yl]-3-(2-methylpropyl)azetidine

2-methyl-1-[(2R)-3-methylbutan-2-yl]-3-(2-methylpropyl)azetidine (PubChem CID 174024707) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 2-methyl-1-[(2R)-3-methylbutan-2-yl]-3-(2-methylpropyl)azetidine.

Molecular Properties

Compound Name2-methyl-1-[(2R)-3-methylbutan-2-yl]-3-(2-methylpropyl)azetidine
PubChem CID174024707
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name2-methyl-1-[(2R)-3-methylbutan-2-yl]-3-(2-methylpropyl)azetidine
SMILESCC(C)CC1CN([C@H](C)C(C)C)C1C
InChIInChI=1S/C13H27N/c1-9(2)7-13-8-14(12(13)6)11(5)10(3)4/h9-13H,7-8H2,1-6H3/t11-,12?,13?/m1/s1
InChIKeyPFGJHTJPPXZDAB-PNESKVBLSA-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 2-methyl-1-[(2R)-3-methylbutan-2-yl]-3-(2-methylpropyl)azetidine?
The IUPAC name of 2-methyl-1-[(2R)-3-methylbutan-2-yl]-3-(2-methylpropyl)azetidine (CID 174024707) is 2-methyl-1-[(2R)-3-methylbutan-2-yl]-3-(2-methylpropyl)azetidine.
What is the SMILES notation for 2-methyl-1-[(2R)-3-methylbutan-2-yl]-3-(2-methylpropyl)azetidine?
The canonical SMILES for 2-methyl-1-[(2R)-3-methylbutan-2-yl]-3-(2-methylpropyl)azetidine is CC(C)CC1CN([C@H](C)C(C)C)C1C.
What is the InChIKey of 2-methyl-1-[(2R)-3-methylbutan-2-yl]-3-(2-methylpropyl)azetidine?
The InChIKey is PFGJHTJPPXZDAB-PNESKVBLSA-N. The full InChI is InChI=1S/C13H27N/c1-9(2)7-13-8-14(12(13)6)11(5)10(3)4/h9-13H,7-8H2,1-6H3/t11-,12?,13?/m1/s1.
What are the key properties of 2-methyl-1-[(2R)-3-methylbutan-2-yl]-3-(2-methylpropyl)azetidine?
2-methyl-1-[(2R)-3-methylbutan-2-yl]-3-(2-methylpropyl)azetidine 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 2-methyl-1-[(2R)-3-methylbutan-2-yl]-3-(2-methylpropyl)azetidine is sourced from PubChem (CID 174024707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).