4-[1-hydroxy-2-[(1-methylcyclopentyl)amino]ethyl]benzonitrile

C15H20N2O — CID 61366179

IUPAC4-[1-hydroxy-2-[(1-methylcyclopentyl)amino]ethyl]benzonitrile
SMILESCC1(NCC(O)c2ccc(C#N)cc2)CCCC1
InChIInChI=1S/C15H20N2O/c1-15(8-2-3-9-15)17-11-14(18)13-6-4-12(10-16)5-7-13/h4-7,14,17-18H,2-3,8-9,11H2,1H3
InChIKeyRADSXVVYYYGODK-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.51
Rot. Bonds4

About 4-[1-hydroxy-2-[(1-methylcyclopentyl)amino]ethyl]benzonitrile

4-[1-hydroxy-2-[(1-methylcyclopentyl)amino]ethyl]benzonitrile (PubChem CID 61366179) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-[1-hydroxy-2-[(1-methylcyclopentyl)amino]ethyl]benzonitrile.

Molecular Properties

Compound Name4-[1-hydroxy-2-[(1-methylcyclopentyl)amino]ethyl]benzonitrile
PubChem CID61366179
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-[1-hydroxy-2-[(1-methylcyclopentyl)amino]ethyl]benzonitrile
SMILESCC1(NCC(O)c2ccc(C#N)cc2)CCCC1
InChIInChI=1S/C15H20N2O/c1-15(8-2-3-9-15)17-11-14(18)13-6-4-12(10-16)5-7-13/h4-7,14,17-18H,2-3,8-9,11H2,1H3
InChIKeyRADSXVVYYYGODK-UHFFFAOYSA-N
XLogP2.51
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-2-[(1-methylcyclopentyl)amino]ethyl]benzonitrile?
The IUPAC name of 4-[1-hydroxy-2-[(1-methylcyclopentyl)amino]ethyl]benzonitrile (CID 61366179) is 4-[1-hydroxy-2-[(1-methylcyclopentyl)amino]ethyl]benzonitrile.
What is the SMILES notation for 4-[1-hydroxy-2-[(1-methylcyclopentyl)amino]ethyl]benzonitrile?
The canonical SMILES for 4-[1-hydroxy-2-[(1-methylcyclopentyl)amino]ethyl]benzonitrile is CC1(NCC(O)c2ccc(C#N)cc2)CCCC1.
What is the InChIKey of 4-[1-hydroxy-2-[(1-methylcyclopentyl)amino]ethyl]benzonitrile?
The InChIKey is RADSXVVYYYGODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-15(8-2-3-9-15)17-11-14(18)13-6-4-12(10-16)5-7-13/h4-7,14,17-18H,2-3,8-9,11H2,1H3.
What are the key properties of 4-[1-hydroxy-2-[(1-methylcyclopentyl)amino]ethyl]benzonitrile?
4-[1-hydroxy-2-[(1-methylcyclopentyl)amino]ethyl]benzonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-hydroxy-2-[(1-methylcyclopentyl)amino]ethyl]benzonitrile is sourced from PubChem (CID 61366179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).