5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-2-carbonitrile

C14H19N3 — CID 113320652

IUPAC5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-2-carbonitrile
SMILESCC1(C)C(CNc2ccc(C#N)nc2)C1(C)C
InChIInChI=1S/C14H19N3/c1-13(2)12(14(13,3)4)9-17-11-6-5-10(7-15)16-8-11/h5-6,8,12,17H,9H2,1-4H3
InChIKeyDSKMLGVSFUMMKU-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.05
Rot. Bonds3

About 5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-2-carbonitrile

5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-2-carbonitrile (PubChem CID 113320652) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-2-carbonitrile
PubChem CID113320652
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-2-carbonitrile
SMILESCC1(C)C(CNc2ccc(C#N)nc2)C1(C)C
InChIInChI=1S/C14H19N3/c1-13(2)12(14(13,3)4)9-17-11-6-5-10(7-15)16-8-11/h5-6,8,12,17H,9H2,1-4H3
InChIKeyDSKMLGVSFUMMKU-UHFFFAOYSA-N
XLogP3.05
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1-methylcyclopropyl)methylamino]pyridine-2-carbonitrile
CID 103736721
5-[(4-ethylcyclohexyl)methylamino]pyridine-2-carbonitrile
CID 115487633
5-[(3-hydroxycyclobutyl)methylamino]pyridine-2-carbonitrile
CID 115487752
5-(oxan-4-ylmethylamino)pyridine-2-carbonitrile
CID 79839036
5-(2,2,3-trimethylbutylamino)pyridine-2-carbonitrile
CID 102609041
5-(2-methylbutan-2-ylamino)pyridine-2-carbonitrile
CID 115487385
5-(2-methylprop-2-enylamino)pyridine-2-carbonitrile
CID 114617316
5-[2-(ethylamino)ethylamino]pyridine-2-carbonitrile
CID 115490362
5-(3-methylpentan-3-ylamino)pyridine-2-carbonitrile
CID 106328906
5-[(1-cyclopropylcyclopropyl)methylamino]pyridine-2-carbonitrile
CID 103837573
5-(3-ethoxypropylamino)pyridine-2-carbonitrile
CID 79840049
5-(butan-2-ylamino)pyridine-2-carbonitrile
CID 79839653

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-2-carbonitrile?
The IUPAC name of 5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-2-carbonitrile (CID 113320652) is 5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-2-carbonitrile is CC1(C)C(CNc2ccc(C#N)nc2)C1(C)C.
What is the InChIKey of 5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-2-carbonitrile?
The InChIKey is DSKMLGVSFUMMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-13(2)12(14(13,3)4)9-17-11-6-5-10(7-15)16-8-11/h5-6,8,12,17H,9H2,1-4H3.
What are the key properties of 5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-2-carbonitrile?
5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-2-carbonitrile has a molecular weight of 229.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 113320652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).