5-[(2-cyclopropyl-2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile

C12H22N2O — CID 65254163

IUPAC5-[(2-cyclopropyl-2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCNCC(O)C1CC1
InChIInChI=1S/C12H22N2O/c1-12(2,9-13)6-3-7-14-8-11(15)10-4-5-10/h10-11,14-15H,3-8H2,1-2H3
InChIKeyJXUXBLZVOOMOIL-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.68
Rot. Bonds7

About 5-[(2-cyclopropyl-2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile

5-[(2-cyclopropyl-2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile (PubChem CID 65254163) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 5-[(2-cyclopropyl-2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-[(2-cyclopropyl-2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile
PubChem CID65254163
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name5-[(2-cyclopropyl-2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCNCC(O)C1CC1
InChIInChI=1S/C12H22N2O/c1-12(2,9-13)6-3-7-14-8-11(15)10-4-5-10/h10-11,14-15H,3-8H2,1-2H3
InChIKeyJXUXBLZVOOMOIL-UHFFFAOYSA-N
XLogP1.68
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyclopropyl-2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile?
The IUPAC name of 5-[(2-cyclopropyl-2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile (CID 65254163) is 5-[(2-cyclopropyl-2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-[(2-cyclopropyl-2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-[(2-cyclopropyl-2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile is CC(C)(C#N)CCCNCC(O)C1CC1.
What is the InChIKey of 5-[(2-cyclopropyl-2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile?
The InChIKey is JXUXBLZVOOMOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-12(2,9-13)6-3-7-14-8-11(15)10-4-5-10/h10-11,14-15H,3-8H2,1-2H3.
What are the key properties of 5-[(2-cyclopropyl-2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile?
5-[(2-cyclopropyl-2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile has a molecular weight of 210.32 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyclopropyl-2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile is sourced from PubChem (CID 65254163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).