1-propylazetidine

C6H13N — CID 550687

IUPAC1-propylazetidine
SMILESCCCN1CCC1
InChIInChI=1S/C6H13N/c1-2-4-7-5-3-6-7/h2-6H2,1H3
InChIKeyLMACASLSRDMFIR-UHFFFAOYSA-N
MW99.18 g/mol
LogP1.10
Rot. Bonds2

About 1-propylazetidine

1-propylazetidine (PubChem CID 550687) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is 1-propylazetidine.

Molecular Properties

Compound Name1-propylazetidine
PubChem CID550687
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC Name1-propylazetidine
SMILESCCCN1CCC1
InChIInChI=1S/C6H13N/c1-2-4-7-5-3-6-7/h2-6H2,1H3
InChIKeyLMACASLSRDMFIR-UHFFFAOYSA-N
XLogP1.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.18
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-propylazetidine?
The IUPAC name of 1-propylazetidine (CID 550687) is 1-propylazetidine.
What is the SMILES notation for 1-propylazetidine?
The canonical SMILES for 1-propylazetidine is CCCN1CCC1.
What is the InChIKey of 1-propylazetidine?
The InChIKey is LMACASLSRDMFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N/c1-2-4-7-5-3-6-7/h2-6H2,1H3.
What are the key properties of 1-propylazetidine?
1-propylazetidine has a molecular weight of 99.18 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylazetidine is sourced from PubChem (CID 550687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).