N-methyl-3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridin-2-amine

C15H24N4 — CID 63165530

IUPACN-methyl-3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridin-2-amine
SMILESCNc1ncccc1CN1CCC(N2CCCC2)C1
InChIInChI=1S/C15H24N4/c1-16-15-13(5-4-7-17-15)11-18-10-6-14(12-18)19-8-2-3-9-19/h4-5,7,14H,2-3,6,8-12H2,1H3,(H,16,17)
InChIKeyDIHNMUCWMMDLDA-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.79
Rot. Bonds4

About N-methyl-3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridin-2-amine

N-methyl-3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridin-2-amine (PubChem CID 63165530) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is N-methyl-3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridin-2-amine
PubChem CID63165530
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC NameN-methyl-3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridin-2-amine
SMILESCNc1ncccc1CN1CCC(N2CCCC2)C1
InChIInChI=1S/C15H24N4/c1-16-15-13(5-4-7-17-15)11-18-10-6-14(12-18)19-8-2-3-9-19/h4-5,7,14H,2-3,6,8-12H2,1H3,(H,16,17)
InChIKeyDIHNMUCWMMDLDA-UHFFFAOYSA-N
XLogP1.79
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridin-2-amine?
The IUPAC name of N-methyl-3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridin-2-amine (CID 63165530) is N-methyl-3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridin-2-amine?
The canonical SMILES for N-methyl-3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridin-2-amine is CNc1ncccc1CN1CCC(N2CCCC2)C1.
What is the InChIKey of N-methyl-3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridin-2-amine?
The InChIKey is DIHNMUCWMMDLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-16-15-13(5-4-7-17-15)11-18-10-6-14(12-18)19-8-2-3-9-19/h4-5,7,14H,2-3,6,8-12H2,1H3,(H,16,17).
What are the key properties of N-methyl-3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridin-2-amine?
N-methyl-3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridin-2-amine has a molecular weight of 260.38 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 63165530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).