6-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-ethylpyridin-2-amine

C14H23N3 — CID 79234186

IUPAC6-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-ethylpyridin-2-amine
SMILESCCNc1cccc(CN2CCCC2(C)C)n1
InChIInChI=1S/C14H23N3/c1-4-15-13-8-5-7-12(16-13)11-17-10-6-9-14(17,2)3/h5,7-8H,4,6,9-11H2,1-3H3,(H,15,16)
InChIKeyBSCMRPPOTOCRLS-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.89
Rot. Bonds4

About 6-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-ethylpyridin-2-amine

6-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-ethylpyridin-2-amine (PubChem CID 79234186) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 6-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name6-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-ethylpyridin-2-amine
PubChem CID79234186
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name6-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-ethylpyridin-2-amine
SMILESCCNc1cccc(CN2CCCC2(C)C)n1
InChIInChI=1S/C14H23N3/c1-4-15-13-8-5-7-12(16-13)11-17-10-6-9-14(17,2)3/h5,7-8H,4,6,9-11H2,1-3H3,(H,15,16)
InChIKeyBSCMRPPOTOCRLS-UHFFFAOYSA-N
XLogP2.89
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-ethylpyridin-2-amine?
The IUPAC name of 6-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-ethylpyridin-2-amine (CID 79234186) is 6-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-ethylpyridin-2-amine.
What is the SMILES notation for 6-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-ethylpyridin-2-amine?
The canonical SMILES for 6-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-ethylpyridin-2-amine is CCNc1cccc(CN2CCCC2(C)C)n1.
What is the InChIKey of 6-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-ethylpyridin-2-amine?
The InChIKey is BSCMRPPOTOCRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-4-15-13-8-5-7-12(16-13)11-17-10-6-9-14(17,2)3/h5,7-8H,4,6,9-11H2,1-3H3,(H,15,16).
What are the key properties of 6-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-ethylpyridin-2-amine?
6-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-ethylpyridin-2-amine has a molecular weight of 233.36 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-ethylpyridin-2-amine is sourced from PubChem (CID 79234186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).