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

C15H25N3 — CID 62593221

IUPAC2-methyl-N-[[1-(3-methyl-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-1-amine
SMILESCc1cccnc1N1CCCC1CNCC(C)C
InChIInChI=1S/C15H25N3/c1-12(2)10-16-11-14-7-5-9-18(14)15-13(3)6-4-8-17-15/h4,6,8,12,14,16H,5,7,9-11H2,1-3H3
InChIKeyIFMFACHEOVBTIE-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.60
Rot. Bonds5

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

2-methyl-N-[[1-(3-methyl-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-1-amine (PubChem CID 62593221) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-methyl-N-[[1-(3-methyl-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(3-methyl-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-1-amine
PubChem CID62593221
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-methyl-N-[[1-(3-methyl-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-1-amine
SMILESCc1cccnc1N1CCCC1CNCC(C)C
InChIInChI=1S/C15H25N3/c1-12(2)10-16-11-14-7-5-9-18(14)15-13(3)6-4-8-17-15/h4,6,8,12,14,16H,5,7,9-11H2,1-3H3
InChIKeyIFMFACHEOVBTIE-UHFFFAOYSA-N
XLogP2.60
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(3-methyl-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-(3-methyl-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-1-amine (CID 62593221) is 2-methyl-N-[[1-(3-methyl-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-(3-methyl-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-(3-methyl-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-1-amine is Cc1cccnc1N1CCCC1CNCC(C)C.
What is the InChIKey of 2-methyl-N-[[1-(3-methyl-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-1-amine?
The InChIKey is IFMFACHEOVBTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-12(2)10-16-11-14-7-5-9-18(14)15-13(3)6-4-8-17-15/h4,6,8,12,14,16H,5,7,9-11H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-(3-methyl-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-1-amine?
2-methyl-N-[[1-(3-methyl-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-1-amine has a molecular weight of 247.39 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(3-methyl-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62593221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).