3-propan-2-yl-3-propylazetidine

C9H19N — CID 79452048

IUPAC3-propan-2-yl-3-propylazetidine
SMILESCCCC1(C(C)C)CNC1
InChIInChI=1S/C9H19N/c1-4-5-9(8(2)3)6-10-7-9/h8,10H,4-7H2,1-3H3
InChIKeyKUVTVAZOKSURRU-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.03
Rot. Bonds3

About 3-propan-2-yl-3-propylazetidine

3-propan-2-yl-3-propylazetidine (PubChem CID 79452048) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 3-propan-2-yl-3-propylazetidine.

Molecular Properties

Compound Name3-propan-2-yl-3-propylazetidine
PubChem CID79452048
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name3-propan-2-yl-3-propylazetidine
SMILESCCCC1(C(C)C)CNC1
InChIInChI=1S/C9H19N/c1-4-5-9(8(2)3)6-10-7-9/h8,10H,4-7H2,1-3H3
InChIKeyKUVTVAZOKSURRU-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-3-propylazetidine?
The IUPAC name of 3-propan-2-yl-3-propylazetidine (CID 79452048) is 3-propan-2-yl-3-propylazetidine.
What is the SMILES notation for 3-propan-2-yl-3-propylazetidine?
The canonical SMILES for 3-propan-2-yl-3-propylazetidine is CCCC1(C(C)C)CNC1.
What is the InChIKey of 3-propan-2-yl-3-propylazetidine?
The InChIKey is KUVTVAZOKSURRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-4-5-9(8(2)3)6-10-7-9/h8,10H,4-7H2,1-3H3.
What are the key properties of 3-propan-2-yl-3-propylazetidine?
3-propan-2-yl-3-propylazetidine has a molecular weight of 141.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-3-propylazetidine is sourced from PubChem (CID 79452048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).