2-(1-propan-2-ylazetidin-3-yl)propan-1-ol

C9H19NO — CID 22896270

IUPAC2-(1-propan-2-ylazetidin-3-yl)propan-1-ol
SMILESCC(CO)C1CN(C(C)C)C1
InChIInChI=1S/C9H19NO/c1-7(2)10-4-9(5-10)8(3)6-11/h7-9,11H,4-6H2,1-3H3
InChIKeyTYLNEJPETDPNQK-UHFFFAOYSA-N
MW157.26 g/mol
LogP0.95
Rot. Bonds3

About 2-(1-propan-2-ylazetidin-3-yl)propan-1-ol

2-(1-propan-2-ylazetidin-3-yl)propan-1-ol (PubChem CID 22896270) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-(1-propan-2-ylazetidin-3-yl)propan-1-ol.

Molecular Properties

Compound Name2-(1-propan-2-ylazetidin-3-yl)propan-1-ol
PubChem CID22896270
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-(1-propan-2-ylazetidin-3-yl)propan-1-ol
SMILESCC(CO)C1CN(C(C)C)C1
InChIInChI=1S/C9H19NO/c1-7(2)10-4-9(5-10)8(3)6-11/h7-9,11H,4-6H2,1-3H3
InChIKeyTYLNEJPETDPNQK-UHFFFAOYSA-N
XLogP0.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylazetidin-3-yl)propan-1-ol?
The IUPAC name of 2-(1-propan-2-ylazetidin-3-yl)propan-1-ol (CID 22896270) is 2-(1-propan-2-ylazetidin-3-yl)propan-1-ol.
What is the SMILES notation for 2-(1-propan-2-ylazetidin-3-yl)propan-1-ol?
The canonical SMILES for 2-(1-propan-2-ylazetidin-3-yl)propan-1-ol is CC(CO)C1CN(C(C)C)C1.
What is the InChIKey of 2-(1-propan-2-ylazetidin-3-yl)propan-1-ol?
The InChIKey is TYLNEJPETDPNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(2)10-4-9(5-10)8(3)6-11/h7-9,11H,4-6H2,1-3H3.
What are the key properties of 2-(1-propan-2-ylazetidin-3-yl)propan-1-ol?
2-(1-propan-2-ylazetidin-3-yl)propan-1-ol has a molecular weight of 157.26 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylazetidin-3-yl)propan-1-ol is sourced from PubChem (CID 22896270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).