2-(3-hydroxypropylamino)-2-methylnonanenitrile

C13H26N2O — CID 62588050

IUPAC2-(3-hydroxypropylamino)-2-methylnonanenitrile
SMILESCCCCCCCC(C)(C#N)NCCCO
InChIInChI=1S/C13H26N2O/c1-3-4-5-6-7-9-13(2,12-14)15-10-8-11-16/h15-16H,3-11H2,1-2H3
InChIKeyURPQKQIPSUBOTI-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.60
Rot. Bonds10

About 2-(3-hydroxypropylamino)-2-methylnonanenitrile

2-(3-hydroxypropylamino)-2-methylnonanenitrile (PubChem CID 62588050) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(3-hydroxypropylamino)-2-methylnonanenitrile.

Molecular Properties

Compound Name2-(3-hydroxypropylamino)-2-methylnonanenitrile
PubChem CID62588050
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-(3-hydroxypropylamino)-2-methylnonanenitrile
SMILESCCCCCCCC(C)(C#N)NCCCO
InChIInChI=1S/C13H26N2O/c1-3-4-5-6-7-9-13(2,12-14)15-10-8-11-16/h15-16H,3-11H2,1-2H3
InChIKeyURPQKQIPSUBOTI-UHFFFAOYSA-N
XLogP2.60
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.60
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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Related Compounds

6-(3-hydroxypropylsulfanyl)-2-methyl-2-(propylamino)hexanenitrile
CID 66128529
2-(3-azidopropylamino)-2-methylheptanenitrile
CID 80557277
2-[2-(2-cyano-5-hydroxypentan-2-yl)hydrazinyl]-5-hydroxy-2-methylpentanenitrile
CID 14298742
2-ethyl-2-(3-hydroxypropylamino)hexanenitrile
CID 63952049
2-(cyclopropylmethylamino)-2-methylheptanenitrile
CID 80557594
3-(3-hydroxypropylsulfanyl)-2-methyl-2-(propylamino)propanenitrile
CID 66128742
3-methyl-3-(octylamino)pentane-1,5-diol
CID 54557477
2-methyl-2-(pentylamino)propanenitrile
CID 28702643
4-methyl-4-octyldodecan-1-ol
CID 87375187
7,7-dimethyldocosan-1-ol
CID 150860437
6-methyl-6-pentylundecane-1,11-diol
CID 87660447
2-methyl-2-(methylamino)-6-pentylsulfanylhexanenitrile
CID 107754927

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropylamino)-2-methylnonanenitrile?
The IUPAC name of 2-(3-hydroxypropylamino)-2-methylnonanenitrile (CID 62588050) is 2-(3-hydroxypropylamino)-2-methylnonanenitrile.
What is the SMILES notation for 2-(3-hydroxypropylamino)-2-methylnonanenitrile?
The canonical SMILES for 2-(3-hydroxypropylamino)-2-methylnonanenitrile is CCCCCCCC(C)(C#N)NCCCO.
What is the InChIKey of 2-(3-hydroxypropylamino)-2-methylnonanenitrile?
The InChIKey is URPQKQIPSUBOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-4-5-6-7-9-13(2,12-14)15-10-8-11-16/h15-16H,3-11H2,1-2H3.
What are the key properties of 2-(3-hydroxypropylamino)-2-methylnonanenitrile?
2-(3-hydroxypropylamino)-2-methylnonanenitrile has a molecular weight of 226.36 g/mol, XLogP of 2.60, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropylamino)-2-methylnonanenitrile is sourced from PubChem (CID 62588050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).