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

C10H20N2 — CID 166046475

IUPAC1-methyl-3-(3-propan-2-ylazetidin-1-yl)azetidine
SMILESCC(C)C1CN(C2CN(C)C2)C1
InChIInChI=1S/C10H20N2/c1-8(2)9-4-12(5-9)10-6-11(3)7-10/h8-10H,4-7H2,1-3H3
InChIKeyIGXGNTYKJSSOQC-UHFFFAOYSA-N
MW168.28 g/mol
LogP0.89
Rot. Bonds2

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

1-methyl-3-(3-propan-2-ylazetidin-1-yl)azetidine (PubChem CID 166046475) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-methyl-3-(3-propan-2-ylazetidin-1-yl)azetidine.

Molecular Properties

Compound Name1-methyl-3-(3-propan-2-ylazetidin-1-yl)azetidine
PubChem CID166046475
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-methyl-3-(3-propan-2-ylazetidin-1-yl)azetidine
SMILESCC(C)C1CN(C2CN(C)C2)C1
InChIInChI=1S/C10H20N2/c1-8(2)9-4-12(5-9)10-6-11(3)7-10/h8-10H,4-7H2,1-3H3
InChIKeyIGXGNTYKJSSOQC-UHFFFAOYSA-N
XLogP0.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-propan-2-ylazetidin-1-yl)azetidine?
The IUPAC name of 1-methyl-3-(3-propan-2-ylazetidin-1-yl)azetidine (CID 166046475) is 1-methyl-3-(3-propan-2-ylazetidin-1-yl)azetidine.
What is the SMILES notation for 1-methyl-3-(3-propan-2-ylazetidin-1-yl)azetidine?
The canonical SMILES for 1-methyl-3-(3-propan-2-ylazetidin-1-yl)azetidine is CC(C)C1CN(C2CN(C)C2)C1.
What is the InChIKey of 1-methyl-3-(3-propan-2-ylazetidin-1-yl)azetidine?
The InChIKey is IGXGNTYKJSSOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-8(2)9-4-12(5-9)10-6-11(3)7-10/h8-10H,4-7H2,1-3H3.
What are the key properties of 1-methyl-3-(3-propan-2-ylazetidin-1-yl)azetidine?
1-methyl-3-(3-propan-2-ylazetidin-1-yl)azetidine has a molecular weight of 168.28 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-propan-2-ylazetidin-1-yl)azetidine is sourced from PubChem (CID 166046475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).