1-propan-2-ylazetidine

C6H13N — CID 23277878

IUPAC1-propan-2-ylazetidine
SMILESCC(C)N1CCC1
InChIInChI=1S/C6H13N/c1-6(2)7-4-3-5-7/h6H,3-5H2,1-2H3
InChIKeyUMPRRBSYZVDQTH-UHFFFAOYSA-N
MW99.18 g/mol
LogP1.10
Rot. Bonds1

About 1-propan-2-ylazetidine

1-propan-2-ylazetidine (PubChem CID 23277878) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is 1-propan-2-ylazetidine.

Molecular Properties

Compound Name1-propan-2-ylazetidine
PubChem CID23277878
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC Name1-propan-2-ylazetidine
SMILESCC(C)N1CCC1
InChIInChI=1S/C6H13N/c1-6(2)7-4-3-5-7/h6H,3-5H2,1-2H3
InChIKeyUMPRRBSYZVDQTH-UHFFFAOYSA-N
XLogP1.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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-propan-2-ylazetidine?
The IUPAC name of 1-propan-2-ylazetidine (CID 23277878) is 1-propan-2-ylazetidine.
What is the SMILES notation for 1-propan-2-ylazetidine?
The canonical SMILES for 1-propan-2-ylazetidine is CC(C)N1CCC1.
What is the InChIKey of 1-propan-2-ylazetidine?
The InChIKey is UMPRRBSYZVDQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N/c1-6(2)7-4-3-5-7/h6H,3-5H2,1-2H3.
What are the key properties of 1-propan-2-ylazetidine?
1-propan-2-ylazetidine has a molecular weight of 99.18 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylazetidine is sourced from PubChem (CID 23277878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).