2-methyl-N-[[4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine

C15H25N3 — CID 81246270

IUPAC2-methyl-N-[[4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCC1CCN(c2ccncc2CNC(C)(C)C)C1
InChIInChI=1S/C15H25N3/c1-12-6-8-18(11-12)14-5-7-16-9-13(14)10-17-15(2,3)4/h5,7,9,12,17H,6,8,10-11H2,1-4H3
InChIKeyZYUCSXVGWQLGQS-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.82
Rot. Bonds3

About 2-methyl-N-[[4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine

2-methyl-N-[[4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 81246270) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-methyl-N-[[4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
PubChem CID81246270
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-methyl-N-[[4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCC1CCN(c2ccncc2CNC(C)(C)C)C1
InChIInChI=1S/C15H25N3/c1-12-6-8-18(11-12)14-5-7-16-9-13(14)10-17-15(2,3)4/h5,7,9,12,17H,6,8,10-11H2,1-4H3
InChIKeyZYUCSXVGWQLGQS-UHFFFAOYSA-N
XLogP2.82
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine (CID 81246270) is 2-methyl-N-[[4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine is CC1CCN(c2ccncc2CNC(C)(C)C)C1.
What is the InChIKey of 2-methyl-N-[[4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is ZYUCSXVGWQLGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-12-6-8-18(11-12)14-5-7-16-9-13(14)10-17-15(2,3)4/h5,7,9,12,17H,6,8,10-11H2,1-4H3.
What are the key properties of 2-methyl-N-[[4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
2-methyl-N-[[4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 247.39 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 81246270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).