3-[(5-methyl-2-pyridinyl)methylamino]pentanenitrile

C12H17N3 — CID 81311591

IUPAC3-[(5-methyl-2-pyridinyl)methylamino]pentanenitrile
SMILESCCC(CC#N)NCc1ccc(C)cn1
InChIInChI=1S/C12H17N3/c1-3-11(6-7-13)15-9-12-5-4-10(2)8-14-12/h4-5,8,11,15H,3,6,9H2,1-2H3
InChIKeyDKRRZLVLYOYRJY-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.17
Rot. Bonds5

About 3-[(5-methyl-2-pyridinyl)methylamino]pentanenitrile

3-[(5-methyl-2-pyridinyl)methylamino]pentanenitrile (PubChem CID 81311591) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-[(5-methyl-2-pyridinyl)methylamino]pentanenitrile.

Molecular Properties

Compound Name3-[(5-methyl-2-pyridinyl)methylamino]pentanenitrile
PubChem CID81311591
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name3-[(5-methyl-2-pyridinyl)methylamino]pentanenitrile
SMILESCCC(CC#N)NCc1ccc(C)cn1
InChIInChI=1S/C12H17N3/c1-3-11(6-7-13)15-9-12-5-4-10(2)8-14-12/h4-5,8,11,15H,3,6,9H2,1-2H3
InChIKeyDKRRZLVLYOYRJY-UHFFFAOYSA-N
XLogP2.17
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]pentan-3-amine
CID 115698944
N-[(5-methyl-2-pyridinyl)methyl]pent-4-yn-2-amine
CID 115699019
3-[(5-methyl-2-pyridinyl)methylamino]propanenitrile
CID 81311804
N-methyl-1-(5-methyl-2-pyridinyl)butan-2-amine
CID 63201914
2-(5-methyl-2-pyridinyl)acetonitrile
CID 583430
2-ethyl-N-[(5-methyl-2-pyridinyl)methyl]butan-1-amine
CID 115698947
(2S)-2-[(5-methyl-2-pyridinyl)methylamino]propan-1-ol
CID 103773833
3-[[4-(difluoromethyl)phenyl]methylamino]pentanenitrile
CID 113328347
3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]pentanenitrile
CID 62645708
5-methyl-N-[(5-methyl-2-pyridinyl)methyl]hexan-2-amine
CID 80708442
3-[(3-propan-2-ylimidazol-4-yl)methylamino]pentanenitrile
CID 66162579
3-(quinolin-4-ylmethylamino)pentanenitrile
CID 55251720

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-2-pyridinyl)methylamino]pentanenitrile?
The IUPAC name of 3-[(5-methyl-2-pyridinyl)methylamino]pentanenitrile (CID 81311591) is 3-[(5-methyl-2-pyridinyl)methylamino]pentanenitrile.
What is the SMILES notation for 3-[(5-methyl-2-pyridinyl)methylamino]pentanenitrile?
The canonical SMILES for 3-[(5-methyl-2-pyridinyl)methylamino]pentanenitrile is CCC(CC#N)NCc1ccc(C)cn1.
What is the InChIKey of 3-[(5-methyl-2-pyridinyl)methylamino]pentanenitrile?
The InChIKey is DKRRZLVLYOYRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-3-11(6-7-13)15-9-12-5-4-10(2)8-14-12/h4-5,8,11,15H,3,6,9H2,1-2H3.
What are the key properties of 3-[(5-methyl-2-pyridinyl)methylamino]pentanenitrile?
3-[(5-methyl-2-pyridinyl)methylamino]pentanenitrile has a molecular weight of 203.29 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-2-pyridinyl)methylamino]pentanenitrile is sourced from PubChem (CID 81311591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).