3-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]pentanenitrile

C15H23N3 — CID 62645704

IUPAC3-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]pentanenitrile
SMILESCCC(CC#N)NC(C)c1c(C)cc(C)nc1C
InChIInChI=1S/C15H23N3/c1-6-14(7-8-16)18-13(5)15-10(2)9-11(3)17-12(15)4/h9,13-14,18H,6-7H2,1-5H3
InChIKeyNVTNHXOSJCERNZ-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.35
Rot. Bonds5

About 3-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]pentanenitrile

3-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]pentanenitrile (PubChem CID 62645704) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]pentanenitrile.

Molecular Properties

Compound Name3-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]pentanenitrile
PubChem CID62645704
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name3-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]pentanenitrile
SMILESCCC(CC#N)NC(C)c1c(C)cc(C)nc1C
InChIInChI=1S/C15H23N3/c1-6-14(7-8-16)18-13(5)15-10(2)9-11(3)17-12(15)4/h9,13-14,18H,6-7H2,1-5H3
InChIKeyNVTNHXOSJCERNZ-UHFFFAOYSA-N
XLogP3.35
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]propane-1,3-diol
CID 65310372
1-methoxy-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-2-amine
CID 43758417
3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentanenitrile
CID 55101844
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentanenitrile
CID 61192885
1-thiophen-3-yl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-2-amine
CID 61473343
2-[4-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenyl]acetonitrile
CID 43786451
3-[[(1R)-1-(2-bromophenyl)ethyl]amino]pentanenitrile
CID 81383586
(1S)-1-(2-chlorophenyl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
CID 81375605
(1S)-1-(4-chlorophenyl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
CID 81348689
1-(2-chlorophenyl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
CID 43767368
3-[[(1R)-1-(4-bromophenyl)ethyl]amino]pentanenitrile
CID 81360191
1-cyclohexyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
CID 62405192

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]pentanenitrile?
The IUPAC name of 3-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]pentanenitrile (CID 62645704) is 3-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]pentanenitrile.
What is the SMILES notation for 3-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]pentanenitrile?
The canonical SMILES for 3-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]pentanenitrile is CCC(CC#N)NC(C)c1c(C)cc(C)nc1C.
What is the InChIKey of 3-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]pentanenitrile?
The InChIKey is NVTNHXOSJCERNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-6-14(7-8-16)18-13(5)15-10(2)9-11(3)17-12(15)4/h9,13-14,18H,6-7H2,1-5H3.
What are the key properties of 3-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]pentanenitrile?
3-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]pentanenitrile has a molecular weight of 245.37 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]pentanenitrile is sourced from PubChem (CID 62645704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).