6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2,2-dimethylhexanenitrile

C15H25N3O — CID 106709428

IUPAC6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2,2-dimethylhexanenitrile
SMILESCc1noc(C)c1C(C)NCCCCC(C)(C)C#N
InChIInChI=1S/C15H25N3O/c1-11(14-12(2)18-19-13(14)3)17-9-7-6-8-15(4,5)10-16/h11,17H,6-9H2,1-5H3
InChIKeyRTTXHDULQQZKRT-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.66
Rot. Bonds7

About 6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2,2-dimethylhexanenitrile

6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2,2-dimethylhexanenitrile (PubChem CID 106709428) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2,2-dimethylhexanenitrile.

Molecular Properties

Compound Name6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2,2-dimethylhexanenitrile
PubChem CID106709428
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2,2-dimethylhexanenitrile
SMILESCc1noc(C)c1C(C)NCCCCC(C)(C)C#N
InChIInChI=1S/C15H25N3O/c1-11(14-12(2)18-19-13(14)3)17-9-7-6-8-15(4,5)10-16/h11,17H,6-9H2,1-5H3
InChIKeyRTTXHDULQQZKRT-UHFFFAOYSA-N
XLogP3.66
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2S,4S)-1-[(dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methanamine
CID 119030852
alpha,3,5-Trimethyl-4-isoxazolemethanamine
CID 23006348
N,3,5-Trimethyl-4-isoxazolemethanamine
CID 23006353
1-((Dimethyl-1,2-oxazol-4-yl)methyl)piperazine dihydrochloride
CID 42933684
1-(Dimethyl-1,2-oxazol-4-yl)propan-1-amine
CID 71757345
Methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methylpentanoate
CID 71855505
1-[(Dimethyl-1,2-oxazol-4-yl)methyl]piperazine
CID 2772401
3-Ethyl-5-methyl-4-(pyrrolidin-2-yl)-1,2-oxazole
CID 25248268
N-[(dimethyl-1,2-oxazol-4-yl)methyl]cyclopropanamine
CID 28780690
((Dimethyl-1,2-oxazol-4-yl)methyl)(methyl)amine hydrochloride
CID 45782718
1-Cyclohexyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 47856546
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethylbutanamide
CID 47861683

Frequently Asked Questions

What is the IUPAC name of 6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2,2-dimethylhexanenitrile?
The IUPAC name of 6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2,2-dimethylhexanenitrile (CID 106709428) is 6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2,2-dimethylhexanenitrile.
What is the SMILES notation for 6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2,2-dimethylhexanenitrile?
The canonical SMILES for 6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2,2-dimethylhexanenitrile is Cc1noc(C)c1C(C)NCCCCC(C)(C)C#N.
What is the InChIKey of 6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2,2-dimethylhexanenitrile?
The InChIKey is RTTXHDULQQZKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(14-12(2)18-19-13(14)3)17-9-7-6-8-15(4,5)10-16/h11,17H,6-9H2,1-5H3.
What are the key properties of 6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2,2-dimethylhexanenitrile?
6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2,2-dimethylhexanenitrile has a molecular weight of 263.38 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2,2-dimethylhexanenitrile is sourced from PubChem (CID 106709428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).