2,2-dimethyl-6-[[(1R)-1-pyridin-3-ylethyl]amino]hexanenitrile

C15H23N3 — CID 106709505

IUPAC2,2-dimethyl-6-[[(1R)-1-pyridin-3-ylethyl]amino]hexanenitrile
SMILESC[C@@H](NCCCCC(C)(C)C#N)c1cccnc1
InChIInChI=1S/C15H23N3/c1-13(14-7-6-9-17-11-14)18-10-5-4-8-15(2,3)12-16/h6-7,9,11,13,18H,4-5,8,10H2,1-3H3/t13-/m1/s1
InChIKeyXGMICNMNVGFISK-CYBMUJFWSA-N
MW245.37 g/mol
LogP3.45
Rot. Bonds7

About 2,2-dimethyl-6-[[(1R)-1-pyridin-3-ylethyl]amino]hexanenitrile

2,2-dimethyl-6-[[(1R)-1-pyridin-3-ylethyl]amino]hexanenitrile (PubChem CID 106709505) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2,2-dimethyl-6-[[(1R)-1-pyridin-3-ylethyl]amino]hexanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-6-[[(1R)-1-pyridin-3-ylethyl]amino]hexanenitrile
PubChem CID106709505
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2,2-dimethyl-6-[[(1R)-1-pyridin-3-ylethyl]amino]hexanenitrile
SMILESC[C@@H](NCCCCC(C)(C)C#N)c1cccnc1
InChIInChI=1S/C15H23N3/c1-13(14-7-6-9-17-11-14)18-10-5-4-8-15(2,3)12-16/h6-7,9,11,13,18H,4-5,8,10H2,1-3H3/t13-/m1/s1
InChIKeyXGMICNMNVGFISK-CYBMUJFWSA-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-6-(1-pyridin-4-ylethylamino)hexanenitrile
CID 106709081
4-[[(1S)-1-pyridin-3-ylethyl]amino]butanenitrile
CID 81404677
2,2-dimethyl-5-[[(1R)-1-pyridin-4-ylethyl]amino]pentanenitrile
CID 81410476
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-[[(1S)-1-pyridin-3-ylethyl]amino]acetonitrile
CID 81405202
N-[(1R)-1-pyridin-3-ylethyl]heptan-1-amine
CID 81407138
N-[(1S)-1-pyridin-3-ylethyl]nonan-1-amine
CID 81404154
6-(1-pyridin-3-ylethylamino)hexan-1-ol
CID 115906807
2-methyl-4-[[(1R)-1-pyridin-3-ylethyl]amino]butan-2-ol
CID 81405139
2,2-dimethyl-4-[[(1S)-1-phenylethyl]amino]butanenitrile
CID 65252952
5-[1-(3-fluorophenyl)ethylamino]-2,2-dimethylpentanenitrile
CID 65253932

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-[[(1R)-1-pyridin-3-ylethyl]amino]hexanenitrile?
The IUPAC name of 2,2-dimethyl-6-[[(1R)-1-pyridin-3-ylethyl]amino]hexanenitrile (CID 106709505) is 2,2-dimethyl-6-[[(1R)-1-pyridin-3-ylethyl]amino]hexanenitrile.
What is the SMILES notation for 2,2-dimethyl-6-[[(1R)-1-pyridin-3-ylethyl]amino]hexanenitrile?
The canonical SMILES for 2,2-dimethyl-6-[[(1R)-1-pyridin-3-ylethyl]amino]hexanenitrile is C[C@@H](NCCCCC(C)(C)C#N)c1cccnc1.
What is the InChIKey of 2,2-dimethyl-6-[[(1R)-1-pyridin-3-ylethyl]amino]hexanenitrile?
The InChIKey is XGMICNMNVGFISK-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23N3/c1-13(14-7-6-9-17-11-14)18-10-5-4-8-15(2,3)12-16/h6-7,9,11,13,18H,4-5,8,10H2,1-3H3/t13-/m1/s1.
What are the key properties of 2,2-dimethyl-6-[[(1R)-1-pyridin-3-ylethyl]amino]hexanenitrile?
2,2-dimethyl-6-[[(1R)-1-pyridin-3-ylethyl]amino]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-[[(1R)-1-pyridin-3-ylethyl]amino]hexanenitrile is sourced from PubChem (CID 106709505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).