2-[2-(2-cyano-5-hydroxypentan-2-yl)hydrazinyl]-5-hydroxy-2-methylpentanenitrile

C12H22N4O2 — CID 14298742

IUPAC2-[2-(2-cyano-5-hydroxypentan-2-yl)hydrazinyl]-5-hydroxy-2-methylpentanenitrile
SMILESCC(C#N)(CCCO)NNC(C)(C#N)CCCO
InChIInChI=1S/C12H22N4O2/c1-11(9-13,5-3-7-17)15-16-12(2,10-14)6-4-8-18/h15-18H,3-8H2,1-2H3
InChIKeyHMWYPZOPVLOJDB-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.19
Rot. Bonds9

About 2-[2-(2-cyano-5-hydroxypentan-2-yl)hydrazinyl]-5-hydroxy-2-methylpentanenitrile

2-[2-(2-cyano-5-hydroxypentan-2-yl)hydrazinyl]-5-hydroxy-2-methylpentanenitrile (PubChem CID 14298742) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[2-(2-cyano-5-hydroxypentan-2-yl)hydrazinyl]-5-hydroxy-2-methylpentanenitrile.

Molecular Properties

Compound Name2-[2-(2-cyano-5-hydroxypentan-2-yl)hydrazinyl]-5-hydroxy-2-methylpentanenitrile
PubChem CID14298742
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-[2-(2-cyano-5-hydroxypentan-2-yl)hydrazinyl]-5-hydroxy-2-methylpentanenitrile
SMILESCC(C#N)(CCCO)NNC(C)(C#N)CCCO
InChIInChI=1S/C12H22N4O2/c1-11(9-13,5-3-7-17)15-16-12(2,10-14)6-4-8-18/h15-18H,3-8H2,1-2H3
InChIKeyHMWYPZOPVLOJDB-UHFFFAOYSA-N
XLogP0.19
TPSA112.10 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-hydroxypropylamino)-2-methylnonanenitrile
CID 62588050
6-(3-hydroxypropylsulfanyl)-2-methyl-2-(propylamino)hexanenitrile
CID 66128529
4-(6-hydroxyhexylamino)-2,2-dimethylbutanenitrile
CID 107851566
5-(6-hydroxy-2-methylhexan-2-yl)oxy-5-methylhexan-1-ol
CID 142783625
2-[(5-hydroxy-2,2-dimethylpentyl)amino]acetonitrile
CID 106147054
6-(7-hydroxy-2-methylheptan-2-yl)oxy-6-methylheptan-1-ol
CID 142777284
6-(3-hydroxypropylsulfanyl)-2,2-dimethylhexanenitrile
CID 106712657
7-methoxy-7-methyloctan-1-ol
CID 175444354
4,4-dimethylpentan-1-ol;tungsten
CID 140674577
4-(methoxyamino)-4-methylpentan-1-ol
CID 146333105
[(2S)-2-cyano-5-hydroxypentan-2-yl] carbamate
CID 90189894
5-amino-5-methylhexan-1-ol;hydrochloride
CID 172915971

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-cyano-5-hydroxypentan-2-yl)hydrazinyl]-5-hydroxy-2-methylpentanenitrile?
The IUPAC name of 2-[2-(2-cyano-5-hydroxypentan-2-yl)hydrazinyl]-5-hydroxy-2-methylpentanenitrile (CID 14298742) is 2-[2-(2-cyano-5-hydroxypentan-2-yl)hydrazinyl]-5-hydroxy-2-methylpentanenitrile.
What is the SMILES notation for 2-[2-(2-cyano-5-hydroxypentan-2-yl)hydrazinyl]-5-hydroxy-2-methylpentanenitrile?
The canonical SMILES for 2-[2-(2-cyano-5-hydroxypentan-2-yl)hydrazinyl]-5-hydroxy-2-methylpentanenitrile is CC(C#N)(CCCO)NNC(C)(C#N)CCCO.
What is the InChIKey of 2-[2-(2-cyano-5-hydroxypentan-2-yl)hydrazinyl]-5-hydroxy-2-methylpentanenitrile?
The InChIKey is HMWYPZOPVLOJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-11(9-13,5-3-7-17)15-16-12(2,10-14)6-4-8-18/h15-18H,3-8H2,1-2H3.
What are the key properties of 2-[2-(2-cyano-5-hydroxypentan-2-yl)hydrazinyl]-5-hydroxy-2-methylpentanenitrile?
2-[2-(2-cyano-5-hydroxypentan-2-yl)hydrazinyl]-5-hydroxy-2-methylpentanenitrile has a molecular weight of 254.33 g/mol, XLogP of 0.19, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-cyano-5-hydroxypentan-2-yl)hydrazinyl]-5-hydroxy-2-methylpentanenitrile is sourced from PubChem (CID 14298742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).