1-(1-ethylazetidin-3-yl)-2-methylpropan-1-ol

C9H19NO — CID 68657816

IUPAC1-(1-ethylazetidin-3-yl)-2-methylpropan-1-ol
SMILESCCN1CC(C(O)C(C)C)C1
InChIInChI=1S/C9H19NO/c1-4-10-5-8(6-10)9(11)7(2)3/h7-9,11H,4-6H2,1-3H3
InChIKeyYIIRHEBRCKBDIA-UHFFFAOYSA-N
MW157.26 g/mol
LogP0.95
Rot. Bonds3

About 1-(1-ethylazetidin-3-yl)-2-methylpropan-1-ol

1-(1-ethylazetidin-3-yl)-2-methylpropan-1-ol (PubChem CID 68657816) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-(1-ethylazetidin-3-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(1-ethylazetidin-3-yl)-2-methylpropan-1-ol
PubChem CID68657816
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-(1-ethylazetidin-3-yl)-2-methylpropan-1-ol
SMILESCCN1CC(C(O)C(C)C)C1
InChIInChI=1S/C9H19NO/c1-4-10-5-8(6-10)9(11)7(2)3/h7-9,11H,4-6H2,1-3H3
InChIKeyYIIRHEBRCKBDIA-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 1-(1-ethylazetidin-3-yl)-2-methylpropan-1-ol?
The IUPAC name of 1-(1-ethylazetidin-3-yl)-2-methylpropan-1-ol (CID 68657816) is 1-(1-ethylazetidin-3-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 1-(1-ethylazetidin-3-yl)-2-methylpropan-1-ol?
The canonical SMILES for 1-(1-ethylazetidin-3-yl)-2-methylpropan-1-ol is CCN1CC(C(O)C(C)C)C1.
What is the InChIKey of 1-(1-ethylazetidin-3-yl)-2-methylpropan-1-ol?
The InChIKey is YIIRHEBRCKBDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-10-5-8(6-10)9(11)7(2)3/h7-9,11H,4-6H2,1-3H3.
What are the key properties of 1-(1-ethylazetidin-3-yl)-2-methylpropan-1-ol?
1-(1-ethylazetidin-3-yl)-2-methylpropan-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 1-(1-ethylazetidin-3-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 68657816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).