2-(ethylamino)-2-methyl-6-(4-propylphenoxy)hexanenitrile

C18H28N2O — CID 62548403

IUPAC2-(ethylamino)-2-methyl-6-(4-propylphenoxy)hexanenitrile
SMILESCCCc1ccc(OCCCCC(C)(C#N)NCC)cc1
InChIInChI=1S/C18H28N2O/c1-4-8-16-9-11-17(12-10-16)21-14-7-6-13-18(3,15-19)20-5-2/h9-12,20H,4-8,13-14H2,1-3H3
InChIKeyOABVOLLVGMMLTQ-UHFFFAOYSA-N
MW288.43 g/mol
LogP4.08
Rot. Bonds10

About 2-(ethylamino)-2-methyl-6-(4-propylphenoxy)hexanenitrile

2-(ethylamino)-2-methyl-6-(4-propylphenoxy)hexanenitrile (PubChem CID 62548403) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-6-(4-propylphenoxy)hexanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-6-(4-propylphenoxy)hexanenitrile
PubChem CID62548403
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name2-(ethylamino)-2-methyl-6-(4-propylphenoxy)hexanenitrile
SMILESCCCc1ccc(OCCCCC(C)(C#N)NCC)cc1
InChIInChI=1S/C18H28N2O/c1-4-8-16-9-11-17(12-10-16)21-14-7-6-13-18(3,15-19)20-5-2/h9-12,20H,4-8,13-14H2,1-3H3
InChIKeyOABVOLLVGMMLTQ-UHFFFAOYSA-N
XLogP4.08
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.08
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-6-(4-propylphenoxy)hexanenitrile
CID 55085639
2,2-dimethyl-5-(4-propylphenoxy)pentanenitrile
CID 65257814
2,2-dimethyl-4-(4-propylphenoxy)butanenitrile
CID 65256549
2-(cyclopropylamino)-2-methyl-4-(4-propylphenoxy)butanenitrile
CID 62549087
2-(ethylamino)-2-methyl-4-(4-propylphenoxy)pentanenitrile
CID 64727839
6-(2,6-difluorophenoxy)-2-(ethylamino)-2-methylhexanenitrile
CID 81268081
2,2-dimethyl-5-(4-propylphenoxy)pentan-1-amine
CID 65255864
1-nonoxy-4-propylbenzene
CID 118632119
6-[4-(2-methoxyethyl)phenoxy]-2,2-dimethylhexanenitrile
CID 106710432
3-(4-butylphenoxy)-2-methyl-2-(propylamino)propanenitrile
CID 115493084
3-(4-butylphenoxy)-2-methyl-2-(methylamino)propanenitrile
CID 113322741
2-ethyl-2-(ethylamino)-5-(4-propylphenoxy)pentan-1-ol
CID 106810139

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-6-(4-propylphenoxy)hexanenitrile?
The IUPAC name of 2-(ethylamino)-2-methyl-6-(4-propylphenoxy)hexanenitrile (CID 62548403) is 2-(ethylamino)-2-methyl-6-(4-propylphenoxy)hexanenitrile.
What is the SMILES notation for 2-(ethylamino)-2-methyl-6-(4-propylphenoxy)hexanenitrile?
The canonical SMILES for 2-(ethylamino)-2-methyl-6-(4-propylphenoxy)hexanenitrile is CCCc1ccc(OCCCCC(C)(C#N)NCC)cc1.
What is the InChIKey of 2-(ethylamino)-2-methyl-6-(4-propylphenoxy)hexanenitrile?
The InChIKey is OABVOLLVGMMLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-8-16-9-11-17(12-10-16)21-14-7-6-13-18(3,15-19)20-5-2/h9-12,20H,4-8,13-14H2,1-3H3.
What are the key properties of 2-(ethylamino)-2-methyl-6-(4-propylphenoxy)hexanenitrile?
2-(ethylamino)-2-methyl-6-(4-propylphenoxy)hexanenitrile has a molecular weight of 288.43 g/mol, XLogP of 4.08, 10 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-(4-propylphenoxy)hexanenitrile is sourced from PubChem (CID 62548403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).