1-[4-(2,2-dimethylpyrrolidin-1-yl)-3-pyridinyl]-N-methylmethanamine

C13H21N3 — CID 81247636

IUPAC1-[4-(2,2-dimethylpyrrolidin-1-yl)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnccc1N1CCCC1(C)C
InChIInChI=1S/C13H21N3/c1-13(2)6-4-8-16(13)12-5-7-15-10-11(12)9-14-3/h5,7,10,14H,4,6,8-9H2,1-3H3
InChIKeyABPFXBUFRUOSBO-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.18
Rot. Bonds3

About 1-[4-(2,2-dimethylpyrrolidin-1-yl)-3-pyridinyl]-N-methylmethanamine

1-[4-(2,2-dimethylpyrrolidin-1-yl)-3-pyridinyl]-N-methylmethanamine (PubChem CID 81247636) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[4-(2,2-dimethylpyrrolidin-1-yl)-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2,2-dimethylpyrrolidin-1-yl)-3-pyridinyl]-N-methylmethanamine
PubChem CID81247636
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-[4-(2,2-dimethylpyrrolidin-1-yl)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnccc1N1CCCC1(C)C
InChIInChI=1S/C13H21N3/c1-13(2)6-4-8-16(13)12-5-7-15-10-11(12)9-14-3/h5,7,10,14H,4,6,8-9H2,1-3H3
InChIKeyABPFXBUFRUOSBO-UHFFFAOYSA-N
XLogP2.18
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-dimethylpyrrolidin-1-yl)-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(2,2-dimethylpyrrolidin-1-yl)-3-pyridinyl]-N-methylmethanamine (CID 81247636) is 1-[4-(2,2-dimethylpyrrolidin-1-yl)-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2,2-dimethylpyrrolidin-1-yl)-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(2,2-dimethylpyrrolidin-1-yl)-3-pyridinyl]-N-methylmethanamine is CNCc1cnccc1N1CCCC1(C)C.
What is the InChIKey of 1-[4-(2,2-dimethylpyrrolidin-1-yl)-3-pyridinyl]-N-methylmethanamine?
The InChIKey is ABPFXBUFRUOSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-13(2)6-4-8-16(13)12-5-7-15-10-11(12)9-14-3/h5,7,10,14H,4,6,8-9H2,1-3H3.
What are the key properties of 1-[4-(2,2-dimethylpyrrolidin-1-yl)-3-pyridinyl]-N-methylmethanamine?
1-[4-(2,2-dimethylpyrrolidin-1-yl)-3-pyridinyl]-N-methylmethanamine has a molecular weight of 219.33 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-dimethylpyrrolidin-1-yl)-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 81247636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).