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

C16H24N2O — CID 55085639

IUPAC2-amino-2-methyl-6-(4-propylphenoxy)hexanenitrile
SMILESCCCc1ccc(OCCCCC(C)(N)C#N)cc1
InChIInChI=1S/C16H24N2O/c1-3-6-14-7-9-15(10-8-14)19-12-5-4-11-16(2,18)13-17/h7-10H,3-6,11-12,18H2,1-2H3
InChIKeyWPAVKODVKUMVMS-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.43
Rot. Bonds8

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

2-amino-2-methyl-6-(4-propylphenoxy)hexanenitrile (PubChem CID 55085639) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-amino-2-methyl-6-(4-propylphenoxy)hexanenitrile.

Molecular Properties

Compound Name2-amino-2-methyl-6-(4-propylphenoxy)hexanenitrile
PubChem CID55085639
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-amino-2-methyl-6-(4-propylphenoxy)hexanenitrile
SMILESCCCc1ccc(OCCCCC(C)(N)C#N)cc1
InChIInChI=1S/C16H24N2O/c1-3-6-14-7-9-15(10-8-14)19-12-5-4-11-16(2,18)13-17/h7-10H,3-6,11-12,18H2,1-2H3
InChIKeyWPAVKODVKUMVMS-UHFFFAOYSA-N
XLogP3.43
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.43
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

2,2-dimethyl-5-(4-propylphenoxy)pentanenitrile
CID 65257814
2-(ethylamino)-2-methyl-6-(4-propylphenoxy)hexanenitrile
CID 62548403
2,2-dimethyl-4-(4-propylphenoxy)butanenitrile
CID 65256549
6-[4-(2-methoxyethyl)phenoxy]-2,2-dimethylhexanenitrile
CID 106710432
2,2-dimethyl-5-(4-propylphenoxy)pentan-1-amine
CID 65255864
1-nonoxy-4-propylbenzene
CID 118632119
2-methyl-4-(4-propoxyphenyl)butan-2-amine
CID 98014307
1-butoxy-4-(3,3-dimethylbutyl)benzene
CID 167030877
4-[3-(4-propylphenoxy)propoxy]aniline
CID 62548380
2-amino-6-(4-butylphenoxy)-2-methylhexanamide
CID 115493137
ethyl 2-amino-2-methyl-5-(4-propylphenoxy)pentanoate
CID 62549258
2-(cyclopropylamino)-2-methyl-4-(4-propylphenoxy)butanenitrile
CID 62549087

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-6-(4-propylphenoxy)hexanenitrile?
The IUPAC name of 2-amino-2-methyl-6-(4-propylphenoxy)hexanenitrile (CID 55085639) is 2-amino-2-methyl-6-(4-propylphenoxy)hexanenitrile.
What is the SMILES notation for 2-amino-2-methyl-6-(4-propylphenoxy)hexanenitrile?
The canonical SMILES for 2-amino-2-methyl-6-(4-propylphenoxy)hexanenitrile is CCCc1ccc(OCCCCC(C)(N)C#N)cc1.
What is the InChIKey of 2-amino-2-methyl-6-(4-propylphenoxy)hexanenitrile?
The InChIKey is WPAVKODVKUMVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-6-14-7-9-15(10-8-14)19-12-5-4-11-16(2,18)13-17/h7-10H,3-6,11-12,18H2,1-2H3.
What are the key properties of 2-amino-2-methyl-6-(4-propylphenoxy)hexanenitrile?
2-amino-2-methyl-6-(4-propylphenoxy)hexanenitrile has a molecular weight of 260.38 g/mol, XLogP of 3.43, 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-6-(4-propylphenoxy)hexanenitrile is sourced from PubChem (CID 55085639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).