2-(ethylamino)-2-methyl-6-(2-methylpentoxy)hexanenitrile

C15H30N2O — CID 103284800

IUPAC2-(ethylamino)-2-methyl-6-(2-methylpentoxy)hexanenitrile
SMILESCCCC(C)COCCCCC(C)(C#N)NCC
InChIInChI=1S/C15H30N2O/c1-5-9-14(3)12-18-11-8-7-10-15(4,13-16)17-6-2/h14,17H,5-12H2,1-4H3
InChIKeyJQVSGPWUCMJRKW-UHFFFAOYSA-N
MW254.42 g/mol
LogP3.50
Rot. Bonds11

About 2-(ethylamino)-2-methyl-6-(2-methylpentoxy)hexanenitrile

2-(ethylamino)-2-methyl-6-(2-methylpentoxy)hexanenitrile (PubChem CID 103284800) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-6-(2-methylpentoxy)hexanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-6-(2-methylpentoxy)hexanenitrile
PubChem CID103284800
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-(ethylamino)-2-methyl-6-(2-methylpentoxy)hexanenitrile
SMILESCCCC(C)COCCCCC(C)(C#N)NCC
InChIInChI=1S/C15H30N2O/c1-5-9-14(3)12-18-11-8-7-10-15(4,13-16)17-6-2/h14,17H,5-12H2,1-4H3
InChIKeyJQVSGPWUCMJRKW-UHFFFAOYSA-N
XLogP3.50
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 53.50
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-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexanenitrile
CID 103284790
2-amino-2-methyl-5-(2-methylpentoxy)pentanenitrile
CID 103284783
2-(ethylamino)-2-methyl-5-(2-methylpentoxy)pentanamide
CID 103284877
5-(2-methylpentoxy)pentanenitrile
CID 103283756
5-(3,3-dimethylbutoxy)-2-(ethylamino)-2-methylpentanenitrile
CID 66225414
2-(ethylamino)-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpentanenitrile
CID 104564868
2-methyl-2-(methylamino)-6-(2-methylpentoxy)hexan-1-ol
CID 103286070
2,2-dimethyl-6-(2-methylpentoxy)hexanoic acid
CID 106714417
2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexan-1-ol
CID 103286053
methyl 2-(ethylamino)-2-methyl-4-(2-methylpentoxy)butanoate
CID 103284956
N-ethyl-5-(2-methylpentoxy)pentan-1-amine
CID 103285584
2-(ethylamino)-2-methyl-6-(4-propylphenoxy)hexanenitrile
CID 62548403

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-6-(2-methylpentoxy)hexanenitrile?
The IUPAC name of 2-(ethylamino)-2-methyl-6-(2-methylpentoxy)hexanenitrile (CID 103284800) is 2-(ethylamino)-2-methyl-6-(2-methylpentoxy)hexanenitrile.
What is the SMILES notation for 2-(ethylamino)-2-methyl-6-(2-methylpentoxy)hexanenitrile?
The canonical SMILES for 2-(ethylamino)-2-methyl-6-(2-methylpentoxy)hexanenitrile is CCCC(C)COCCCCC(C)(C#N)NCC.
What is the InChIKey of 2-(ethylamino)-2-methyl-6-(2-methylpentoxy)hexanenitrile?
The InChIKey is JQVSGPWUCMJRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-5-9-14(3)12-18-11-8-7-10-15(4,13-16)17-6-2/h14,17H,5-12H2,1-4H3.
What are the key properties of 2-(ethylamino)-2-methyl-6-(2-methylpentoxy)hexanenitrile?
2-(ethylamino)-2-methyl-6-(2-methylpentoxy)hexanenitrile has a molecular weight of 254.42 g/mol, XLogP of 3.50, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-6-(2-methylpentoxy)hexanenitrile is sourced from PubChem (CID 103284800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).