2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexanenitrile

C16H32N2O — CID 103284790

IUPAC2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexanenitrile
SMILESCCCC(C)COCCCCC(C)(C#N)NC(C)C
InChIInChI=1S/C16H32N2O/c1-6-9-15(4)12-19-11-8-7-10-16(5,13-17)18-14(2)3/h14-15,18H,6-12H2,1-5H3
InChIKeyIHNYCFFOFZUFEK-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.89
Rot. Bonds11

About 2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexanenitrile

2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexanenitrile (PubChem CID 103284790) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexanenitrile.

Molecular Properties

Compound Name2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexanenitrile
PubChem CID103284790
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexanenitrile
SMILESCCCC(C)COCCCCC(C)(C#N)NC(C)C
InChIInChI=1S/C16H32N2O/c1-6-9-15(4)12-19-11-8-7-10-16(5,13-17)18-14(2)3/h14-15,18H,6-12H2,1-5H3
InChIKeyIHNYCFFOFZUFEK-UHFFFAOYSA-N
XLogP3.89
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.89
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-(ethylamino)-2-methyl-6-(2-methylpentoxy)hexanenitrile
CID 103284800
2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexan-1-ol
CID 103286053
2-amino-2-methyl-5-(2-methylpentoxy)pentanenitrile
CID 103284783
5-(2-methylpentoxy)pentanenitrile
CID 103283756
2-methyl-2-(methylamino)-6-(2-methylpentoxy)hexan-1-ol
CID 103286070
2,2-dimethyl-6-(2-methylpentoxy)hexanoic acid
CID 106714417
4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-2-(propan-2-ylamino)butanenitrile
CID 103179755
ethyl 2-methyl-4-(2-methylpentoxy)-2-(propan-2-ylamino)butanoate
CID 103284924
6-(3,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexanenitrile
CID 62786389
6,6,6-trifluoro-2-methyl-2-(propan-2-ylamino)hexanenitrile
CID 116535437
2-(methylamino)-4-(2-methylpentoxy)butanenitrile
CID 103284829
2-methyl-3-pentan-2-yloxy-2-(propan-2-ylamino)propanenitrile
CID 102983535

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexanenitrile?
The IUPAC name of 2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexanenitrile (CID 103284790) is 2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexanenitrile.
What is the SMILES notation for 2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexanenitrile?
The canonical SMILES for 2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexanenitrile is CCCC(C)COCCCCC(C)(C#N)NC(C)C.
What is the InChIKey of 2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexanenitrile?
The InChIKey is IHNYCFFOFZUFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-6-9-15(4)12-19-11-8-7-10-16(5,13-17)18-14(2)3/h14-15,18H,6-12H2,1-5H3.
What are the key properties of 2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexanenitrile?
2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexanenitrile has a molecular weight of 268.44 g/mol, XLogP of 3.89, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexanenitrile is sourced from PubChem (CID 103284790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).