3-[2-(propan-2-ylamino)ethyl]cyclobutan-1-ol

C9H19NO — CID 131214899

IUPAC3-[2-(propan-2-ylamino)ethyl]cyclobutan-1-ol
SMILESCC(C)NCCC1CC(O)C1
InChIInChI=1S/C9H19NO/c1-7(2)10-4-3-8-5-9(11)6-8/h7-11H,3-6H2,1-2H3
InChIKeyYTENBQZZEDYCTM-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.15
Rot. Bonds4

About 3-[2-(propan-2-ylamino)ethyl]cyclobutan-1-ol

3-[2-(propan-2-ylamino)ethyl]cyclobutan-1-ol (PubChem CID 131214899) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-[2-(propan-2-ylamino)ethyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-(propan-2-ylamino)ethyl]cyclobutan-1-ol
PubChem CID131214899
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-[2-(propan-2-ylamino)ethyl]cyclobutan-1-ol
SMILESCC(C)NCCC1CC(O)C1
InChIInChI=1S/C9H19NO/c1-7(2)10-4-3-8-5-9(11)6-8/h7-11H,3-6H2,1-2H3
InChIKeyYTENBQZZEDYCTM-UHFFFAOYSA-N
XLogP1.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(propan-2-ylamino)ethyl]cyclobutan-1-ol?
The IUPAC name of 3-[2-(propan-2-ylamino)ethyl]cyclobutan-1-ol (CID 131214899) is 3-[2-(propan-2-ylamino)ethyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[2-(propan-2-ylamino)ethyl]cyclobutan-1-ol?
The canonical SMILES for 3-[2-(propan-2-ylamino)ethyl]cyclobutan-1-ol is CC(C)NCCC1CC(O)C1.
What is the InChIKey of 3-[2-(propan-2-ylamino)ethyl]cyclobutan-1-ol?
The InChIKey is YTENBQZZEDYCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(2)10-4-3-8-5-9(11)6-8/h7-11H,3-6H2,1-2H3.
What are the key properties of 3-[2-(propan-2-ylamino)ethyl]cyclobutan-1-ol?
3-[2-(propan-2-ylamino)ethyl]cyclobutan-1-ol has a molecular weight of 157.26 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(propan-2-ylamino)ethyl]cyclobutan-1-ol is sourced from PubChem (CID 131214899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).