3-[(3-methylpyrrolidin-1-yl)methyl]-N-propylpyridin-2-amine

C14H23N3 — CID 55075699

IUPAC3-[(3-methylpyrrolidin-1-yl)methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ncccc1CN1CCC(C)C1
InChIInChI=1S/C14H23N3/c1-3-7-15-14-13(5-4-8-16-14)11-17-9-6-12(2)10-17/h4-5,8,12H,3,6-7,9-11H2,1-2H3,(H,15,16)
InChIKeyMDBUVOIWADFQIJ-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.75
Rot. Bonds5

About 3-[(3-methylpyrrolidin-1-yl)methyl]-N-propylpyridin-2-amine

3-[(3-methylpyrrolidin-1-yl)methyl]-N-propylpyridin-2-amine (PubChem CID 55075699) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-[(3-methylpyrrolidin-1-yl)methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name3-[(3-methylpyrrolidin-1-yl)methyl]-N-propylpyridin-2-amine
PubChem CID55075699
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name3-[(3-methylpyrrolidin-1-yl)methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ncccc1CN1CCC(C)C1
InChIInChI=1S/C14H23N3/c1-3-7-15-14-13(5-4-8-16-14)11-17-9-6-12(2)10-17/h4-5,8,12H,3,6-7,9-11H2,1-2H3,(H,15,16)
InChIKeyMDBUVOIWADFQIJ-UHFFFAOYSA-N
XLogP2.75
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-methylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine
CID 62470200
3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-N-propylpyridin-2-amine
CID 79164091
2-[1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidin-3-yl]ethanol
CID 114799919
N-propyl-3-(pyrrolidin-1-ylmethyl)pyridin-2-amine
CID 62470751
3-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylpyridin-2-amine
CID 62469718
1-[4-[[2-(propylamino)-3-pyridinyl]methyl]piperazin-1-yl]ethanone
CID 62470561
3-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-propylpyridin-2-amine
CID 62470227
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethylpyridin-2-amine
CID 62471001
3,4-dimethyl-1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2,5-dione
CID 79181550
4-methyl-1-[[2-(propylamino)-3-pyridinyl]methyl]azepan-4-ol
CID 107408579
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N-propylpyridin-2-amine
CID 63024773
methyl 1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxylate
CID 62471191

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylpyrrolidin-1-yl)methyl]-N-propylpyridin-2-amine?
The IUPAC name of 3-[(3-methylpyrrolidin-1-yl)methyl]-N-propylpyridin-2-amine (CID 55075699) is 3-[(3-methylpyrrolidin-1-yl)methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 3-[(3-methylpyrrolidin-1-yl)methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 3-[(3-methylpyrrolidin-1-yl)methyl]-N-propylpyridin-2-amine is CCCNc1ncccc1CN1CCC(C)C1.
What is the InChIKey of 3-[(3-methylpyrrolidin-1-yl)methyl]-N-propylpyridin-2-amine?
The InChIKey is MDBUVOIWADFQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-3-7-15-14-13(5-4-8-16-14)11-17-9-6-12(2)10-17/h4-5,8,12H,3,6-7,9-11H2,1-2H3,(H,15,16).
What are the key properties of 3-[(3-methylpyrrolidin-1-yl)methyl]-N-propylpyridin-2-amine?
3-[(3-methylpyrrolidin-1-yl)methyl]-N-propylpyridin-2-amine has a molecular weight of 233.36 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylpyrrolidin-1-yl)methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 55075699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).