1-[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine

C13H21N3 — CID 112584254

IUPAC1-[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine
SMILESCCC(N)c1ccc(N2CCC(C)C2)cn1
InChIInChI=1S/C13H21N3/c1-3-12(14)13-5-4-11(8-15-13)16-7-6-10(2)9-16/h4-5,8,10,12H,3,6-7,9,14H2,1-2H3
InChIKeyOPBXCQIZBJYYRO-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.34
Rot. Bonds3

About 1-[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine

1-[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine (PubChem CID 112584254) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name1-[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine
PubChem CID112584254
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine
SMILESCCC(N)c1ccc(N2CCC(C)C2)cn1
InChIInChI=1S/C13H21N3/c1-3-12(14)13-5-4-11(8-15-13)16-7-6-10(2)9-16/h4-5,8,10,12H,3,6-7,9,14H2,1-2H3
InChIKeyOPBXCQIZBJYYRO-UHFFFAOYSA-N
XLogP2.34
TPSA42.15 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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-amine
CID 103936871
1-[6-[(1R)-1-aminopropyl]-3-pyridinyl]piperidin-4-ol
CID 103936925
1-[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-ol
CID 112585309
(1S)-1-[5-(3,4-dimethylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine
CID 113355142
1-[1-[6-(1-aminopropyl)-3-pyridinyl]piperidin-4-yl]ethanol
CID 106836278
1-[5-(3-morpholin-4-ylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine
CID 115939599
[1-[6-[(1R)-1-aminopropyl]-3-pyridinyl]piperidin-3-yl]methanol
CID 103937018
1-[6-(1-aminopropyl)-3-pyridinyl]-N,N-dimethylpiperidin-3-amine
CID 112584494
(1R)-1-[5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-pyridinyl]propan-1-amine
CID 103937123
(1R)-1-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]propan-1-amine
CID 113355072
1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-ol
CID 112585215
(1R)-1-[5-[3-(trifluoromethyl)piperidin-1-yl]-2-pyridinyl]propan-1-amine
CID 103937448

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine?
The IUPAC name of 1-[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine (CID 112584254) is 1-[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine.
What is the SMILES notation for 1-[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine?
The canonical SMILES for 1-[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine is CCC(N)c1ccc(N2CCC(C)C2)cn1.
What is the InChIKey of 1-[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine?
The InChIKey is OPBXCQIZBJYYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-3-12(14)13-5-4-11(8-15-13)16-7-6-10(2)9-16/h4-5,8,10,12H,3,6-7,9,14H2,1-2H3.
What are the key properties of 1-[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine?
1-[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 112584254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).