3-[(3-butan-2-yl-2-pyridinyl)-ethenylamino]cyclobutan-1-ol

C15H22N2O — CID 170062319

IUPAC3-[(3-butan-2-yl-2-pyridinyl)-ethenylamino]cyclobutan-1-ol
SMILESC=CN(c1ncccc1C(C)CC)C1CC(O)C1
InChIInChI=1S/C15H22N2O/c1-4-11(3)14-7-6-8-16-15(14)17(5-2)12-9-13(18)10-12/h5-8,11-13,18H,2,4,9-10H2,1,3H3
InChIKeySMACOUGRAFWJPP-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.07
Rot. Bonds5

About 3-[(3-butan-2-yl-2-pyridinyl)-ethenylamino]cyclobutan-1-ol

3-[(3-butan-2-yl-2-pyridinyl)-ethenylamino]cyclobutan-1-ol (PubChem CID 170062319) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-[(3-butan-2-yl-2-pyridinyl)-ethenylamino]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[(3-butan-2-yl-2-pyridinyl)-ethenylamino]cyclobutan-1-ol
PubChem CID170062319
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-[(3-butan-2-yl-2-pyridinyl)-ethenylamino]cyclobutan-1-ol
SMILESC=CN(c1ncccc1C(C)CC)C1CC(O)C1
InChIInChI=1S/C15H22N2O/c1-4-11(3)14-7-6-8-16-15(14)17(5-2)12-9-13(18)10-12/h5-8,11-13,18H,2,4,9-10H2,1,3H3
InChIKeySMACOUGRAFWJPP-UHFFFAOYSA-N
XLogP3.07
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-butan-2-yl-2-pyridinyl)-ethenylamino]cyclobutan-1-ol?
The IUPAC name of 3-[(3-butan-2-yl-2-pyridinyl)-ethenylamino]cyclobutan-1-ol (CID 170062319) is 3-[(3-butan-2-yl-2-pyridinyl)-ethenylamino]cyclobutan-1-ol.
What is the SMILES notation for 3-[(3-butan-2-yl-2-pyridinyl)-ethenylamino]cyclobutan-1-ol?
The canonical SMILES for 3-[(3-butan-2-yl-2-pyridinyl)-ethenylamino]cyclobutan-1-ol is C=CN(c1ncccc1C(C)CC)C1CC(O)C1.
What is the InChIKey of 3-[(3-butan-2-yl-2-pyridinyl)-ethenylamino]cyclobutan-1-ol?
The InChIKey is SMACOUGRAFWJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-11(3)14-7-6-8-16-15(14)17(5-2)12-9-13(18)10-12/h5-8,11-13,18H,2,4,9-10H2,1,3H3.
What are the key properties of 3-[(3-butan-2-yl-2-pyridinyl)-ethenylamino]cyclobutan-1-ol?
3-[(3-butan-2-yl-2-pyridinyl)-ethenylamino]cyclobutan-1-ol has a molecular weight of 246.35 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-butan-2-yl-2-pyridinyl)-ethenylamino]cyclobutan-1-ol is sourced from PubChem (CID 170062319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).