2-methyl-1-propylazetidine

C7H15N — CID 90212998

IUPAC2-methyl-1-propylazetidine
SMILESCCCN1CCC1C
InChIInChI=1S/C7H15N/c1-3-5-8-6-4-7(8)2/h7H,3-6H2,1-2H3
InChIKeyZUENAWXAJRVUCX-UHFFFAOYSA-N
MW113.20 g/mol
LogP1.49
Rot. Bonds2

About 2-methyl-1-propylazetidine

2-methyl-1-propylazetidine (PubChem CID 90212998) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is 2-methyl-1-propylazetidine.

Molecular Properties

Compound Name2-methyl-1-propylazetidine
PubChem CID90212998
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Name2-methyl-1-propylazetidine
SMILESCCCN1CCC1C
InChIInChI=1S/C7H15N/c1-3-5-8-6-4-7(8)2/h7H,3-6H2,1-2H3
InChIKeyZUENAWXAJRVUCX-UHFFFAOYSA-N
XLogP1.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-propylazetidine?
The IUPAC name of 2-methyl-1-propylazetidine (CID 90212998) is 2-methyl-1-propylazetidine.
What is the SMILES notation for 2-methyl-1-propylazetidine?
The canonical SMILES for 2-methyl-1-propylazetidine is CCCN1CCC1C.
What is the InChIKey of 2-methyl-1-propylazetidine?
The InChIKey is ZUENAWXAJRVUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N/c1-3-5-8-6-4-7(8)2/h7H,3-6H2,1-2H3.
What are the key properties of 2-methyl-1-propylazetidine?
2-methyl-1-propylazetidine has a molecular weight of 113.20 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propylazetidine is sourced from PubChem (CID 90212998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).