5-[(6-methyl-3-pyridinyl)methylamino]pentanenitrile

C12H17N3 — CID 62996744

IUPAC5-[(6-methyl-3-pyridinyl)methylamino]pentanenitrile
SMILESCc1ccc(CNCCCCC#N)cn1
InChIInChI=1S/C12H17N3/c1-11-5-6-12(10-15-11)9-14-8-4-2-3-7-13/h5-6,10,14H,2-4,8-9H2,1H3
InChIKeyNHORSGUBNQSUFD-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.17
Rot. Bonds6

About 5-[(6-methyl-3-pyridinyl)methylamino]pentanenitrile

5-[(6-methyl-3-pyridinyl)methylamino]pentanenitrile (PubChem CID 62996744) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 5-[(6-methyl-3-pyridinyl)methylamino]pentanenitrile.

Molecular Properties

Compound Name5-[(6-methyl-3-pyridinyl)methylamino]pentanenitrile
PubChem CID62996744
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name5-[(6-methyl-3-pyridinyl)methylamino]pentanenitrile
SMILESCc1ccc(CNCCCCC#N)cn1
InChIInChI=1S/C12H17N3/c1-11-5-6-12(10-15-11)9-14-8-4-2-3-7-13/h5-6,10,14H,2-4,8-9H2,1H3
InChIKeyNHORSGUBNQSUFD-UHFFFAOYSA-N
XLogP2.17
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Related Compounds

Ethionamide
CID 2761171
Anabasine
CID 205586
Nornicotine
CID 91462
Prothionamide
CID 666418
3-(Pyrrolidin-2-yl)pyridine
CID 412
(+-)-Anabasine
CID 2181
Myosmine
CID 442649
Betahistine
CID 2366
2-Pyridineethanamine
CID 75919
3-Cyanopyridine
CID 79
5-Ethyl-2-methylpyridine
CID 7728
Rivanicline
CID 5310967

Frequently Asked Questions

What is the IUPAC name of 5-[(6-methyl-3-pyridinyl)methylamino]pentanenitrile?
The IUPAC name of 5-[(6-methyl-3-pyridinyl)methylamino]pentanenitrile (CID 62996744) is 5-[(6-methyl-3-pyridinyl)methylamino]pentanenitrile.
What is the SMILES notation for 5-[(6-methyl-3-pyridinyl)methylamino]pentanenitrile?
The canonical SMILES for 5-[(6-methyl-3-pyridinyl)methylamino]pentanenitrile is Cc1ccc(CNCCCCC#N)cn1.
What is the InChIKey of 5-[(6-methyl-3-pyridinyl)methylamino]pentanenitrile?
The InChIKey is NHORSGUBNQSUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-11-5-6-12(10-15-11)9-14-8-4-2-3-7-13/h5-6,10,14H,2-4,8-9H2,1H3.
What are the key properties of 5-[(6-methyl-3-pyridinyl)methylamino]pentanenitrile?
5-[(6-methyl-3-pyridinyl)methylamino]pentanenitrile has a molecular weight of 203.29 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methyl-3-pyridinyl)methylamino]pentanenitrile is sourced from PubChem (CID 62996744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).