2,2-dimethyl-6-(1-pyridin-4-ylethylamino)hexanenitrile

C15H23N3 — CID 106709081

IUPAC2,2-dimethyl-6-(1-pyridin-4-ylethylamino)hexanenitrile
SMILESCC(NCCCCC(C)(C)C#N)c1ccncc1
InChIInChI=1S/C15H23N3/c1-13(14-6-10-17-11-7-14)18-9-5-4-8-15(2,3)12-16/h6-7,10-11,13,18H,4-5,8-9H2,1-3H3
InChIKeyIAFRWMLAVIMPBQ-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.45
Rot. Bonds7

About 2,2-dimethyl-6-(1-pyridin-4-ylethylamino)hexanenitrile

2,2-dimethyl-6-(1-pyridin-4-ylethylamino)hexanenitrile (PubChem CID 106709081) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2,2-dimethyl-6-(1-pyridin-4-ylethylamino)hexanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-6-(1-pyridin-4-ylethylamino)hexanenitrile
PubChem CID106709081
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2,2-dimethyl-6-(1-pyridin-4-ylethylamino)hexanenitrile
SMILESCC(NCCCCC(C)(C)C#N)c1ccncc1
InChIInChI=1S/C15H23N3/c1-13(14-6-10-17-11-7-14)18-9-5-4-8-15(2,3)12-16/h6-7,10-11,13,18H,4-5,8-9H2,1-3H3
InChIKeyIAFRWMLAVIMPBQ-UHFFFAOYSA-N
XLogP3.45
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.45
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-[[(1R)-1-pyridin-4-ylethyl]amino]pentanenitrile
CID 81410476
2,2-dimethyl-6-[[(1R)-1-pyridin-3-ylethyl]amino]hexanenitrile
CID 106709505
2,2-dimethyl-5-[1-(4-methylphenyl)ethylamino]pentanenitrile
CID 65254256
5-[[(1R)-1-pyridin-4-ylethyl]amino]pentanenitrile
CID 81410148
5-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2,2-dimethylpentanenitrile
CID 81353286
6-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2,2-dimethylhexanenitrile
CID 106709482
6-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2,2-dimethylhexanenitrile
CID 106709481
2,2-dimethyl-4-[[(1S)-1-phenylethyl]amino]butanenitrile
CID 65252952
N-[(1S)-1-pyridin-4-ylethyl]decan-1-amine
CID 81410025
5-[1-(3-fluorophenyl)ethylamino]-2,2-dimethylpentanenitrile
CID 65253932
6-[[(1R)-1-pyridin-4-ylethyl]amino]hexan-1-ol
CID 107703538
5-[[(1S)-1-pyridin-4-ylethyl]amino]pentan-1-ol
CID 81410455

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(1-pyridin-4-ylethylamino)hexanenitrile?
The IUPAC name of 2,2-dimethyl-6-(1-pyridin-4-ylethylamino)hexanenitrile (CID 106709081) is 2,2-dimethyl-6-(1-pyridin-4-ylethylamino)hexanenitrile.
What is the SMILES notation for 2,2-dimethyl-6-(1-pyridin-4-ylethylamino)hexanenitrile?
The canonical SMILES for 2,2-dimethyl-6-(1-pyridin-4-ylethylamino)hexanenitrile is CC(NCCCCC(C)(C)C#N)c1ccncc1.
What is the InChIKey of 2,2-dimethyl-6-(1-pyridin-4-ylethylamino)hexanenitrile?
The InChIKey is IAFRWMLAVIMPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-13(14-6-10-17-11-7-14)18-9-5-4-8-15(2,3)12-16/h6-7,10-11,13,18H,4-5,8-9H2,1-3H3.
What are the key properties of 2,2-dimethyl-6-(1-pyridin-4-ylethylamino)hexanenitrile?
2,2-dimethyl-6-(1-pyridin-4-ylethylamino)hexanenitrile has a molecular weight of 245.37 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(1-pyridin-4-ylethylamino)hexanenitrile is sourced from PubChem (CID 106709081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).