2-amino-2-methyl-5-(2-methylpentoxy)pentanenitrile

C12H24N2O — CID 103284783

IUPAC2-amino-2-methyl-5-(2-methylpentoxy)pentanenitrile
SMILESCCCC(C)COCCCC(C)(N)C#N
InChIInChI=1S/C12H24N2O/c1-4-6-11(2)9-15-8-5-7-12(3,14)10-13/h11H,4-9,14H2,1-3H3
InChIKeyOHRUGICAUVLSCS-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.46
Rot. Bonds8

About 2-amino-2-methyl-5-(2-methylpentoxy)pentanenitrile

2-amino-2-methyl-5-(2-methylpentoxy)pentanenitrile (PubChem CID 103284783) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-amino-2-methyl-5-(2-methylpentoxy)pentanenitrile.

Molecular Properties

Compound Name2-amino-2-methyl-5-(2-methylpentoxy)pentanenitrile
PubChem CID103284783
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-amino-2-methyl-5-(2-methylpentoxy)pentanenitrile
SMILESCCCC(C)COCCCC(C)(N)C#N
InChIInChI=1S/C12H24N2O/c1-4-6-11(2)9-15-8-5-7-12(3,14)10-13/h11H,4-9,14H2,1-3H3
InChIKeyOHRUGICAUVLSCS-UHFFFAOYSA-N
XLogP2.46
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-methyl-5-(2-propoxyethoxy)pentanenitrile
CID 63686232
2-(ethylamino)-2-methyl-6-(2-methylpentoxy)hexanenitrile
CID 103284800
2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexanenitrile
CID 103284790
5-(2-methylpentoxy)pentanenitrile
CID 103283756
2-amino-5-[3-(2-methoxyethoxy)propoxy]-2-methylpentanenitrile
CID 103404479
2-amino-2-methyl-4-(2-methylpentoxy)butan-1-ol
CID 103286028
2-amino-4-(2-methylpentoxy)-2-phenylbutanenitrile
CID 103284840
2-methyl-2-(methylamino)-5-(2-methylpentoxy)pentanamide
CID 103284845
2-(ethylamino)-2-methyl-5-(2-methylpentoxy)pentanamide
CID 103284877
2-amino-2-methyl-6-(4,4,4-trifluorobutoxy)hexanenitrile
CID 82789516
2-amino-5-(3-methoxy-3-methylbutoxy)-2-methylpentanenitrile
CID 106666621
2-(2-methylpentoxy)ethanamine
CID 62343431

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-5-(2-methylpentoxy)pentanenitrile?
The IUPAC name of 2-amino-2-methyl-5-(2-methylpentoxy)pentanenitrile (CID 103284783) is 2-amino-2-methyl-5-(2-methylpentoxy)pentanenitrile.
What is the SMILES notation for 2-amino-2-methyl-5-(2-methylpentoxy)pentanenitrile?
The canonical SMILES for 2-amino-2-methyl-5-(2-methylpentoxy)pentanenitrile is CCCC(C)COCCCC(C)(N)C#N.
What is the InChIKey of 2-amino-2-methyl-5-(2-methylpentoxy)pentanenitrile?
The InChIKey is OHRUGICAUVLSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-6-11(2)9-15-8-5-7-12(3,14)10-13/h11H,4-9,14H2,1-3H3.
What are the key properties of 2-amino-2-methyl-5-(2-methylpentoxy)pentanenitrile?
2-amino-2-methyl-5-(2-methylpentoxy)pentanenitrile has a molecular weight of 212.34 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-5-(2-methylpentoxy)pentanenitrile is sourced from PubChem (CID 103284783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).