1-[1-(5-methoxy-2-pyridinyl)pyrrolidin-2-yl]propan-2-amine

C13H21N3O — CID 112748048

IUPAC1-[1-(5-methoxy-2-pyridinyl)pyrrolidin-2-yl]propan-2-amine
SMILESCOc1ccc(N2CCCC2CC(C)N)nc1
InChIInChI=1S/C13H21N3O/c1-10(14)8-11-4-3-7-16(11)13-6-5-12(17-2)9-15-13/h5-6,9-11H,3-4,7-8,14H2,1-2H3
InChIKeyGZFZXHVVFQMILD-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.80
Rot. Bonds4

About 1-[1-(5-methoxy-2-pyridinyl)pyrrolidin-2-yl]propan-2-amine

1-[1-(5-methoxy-2-pyridinyl)pyrrolidin-2-yl]propan-2-amine (PubChem CID 112748048) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[1-(5-methoxy-2-pyridinyl)pyrrolidin-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-(5-methoxy-2-pyridinyl)pyrrolidin-2-yl]propan-2-amine
PubChem CID112748048
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-[1-(5-methoxy-2-pyridinyl)pyrrolidin-2-yl]propan-2-amine
SMILESCOc1ccc(N2CCCC2CC(C)N)nc1
InChIInChI=1S/C13H21N3O/c1-10(14)8-11-4-3-7-16(11)13-6-5-12(17-2)9-15-13/h5-6,9-11H,3-4,7-8,14H2,1-2H3
InChIKeyGZFZXHVVFQMILD-UHFFFAOYSA-N
XLogP1.80
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(5-methoxy-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 139294140
[4-methoxy-1-(5-methoxy-2-pyridinyl)piperidin-2-yl]methanamine
CID 106504519
1-[6-(2-ethylpiperidin-1-yl)-3-pyridinyl]propan-2-amine
CID 80633955
N-[[4-(5-methoxy-2-pyridinyl)morpholin-3-yl]methyl]propan-2-amine
CID 106504984
6-[2-(methoxymethyl)piperidin-1-yl]pyridin-3-amine
CID 121201557
6-[(2R)-2-(methoxymethyl)piperidin-1-yl]pyridin-3-amine
CID 129359535
5-[cyclopropyl(cyclopropylidene)methyl]-2-[2-(2-methylbutyl)pyrrolidin-1-yl]pyridine
CID 70906639
2-(3-bromopiperidin-1-yl)-5-methoxypyridine
CID 106505131
1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]propan-2-amine
CID 112748054
6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129495333
1-[1-(3-bromo-4-pyridinyl)azepan-2-yl]propan-2-amine
CID 112748094
[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]methanamine
CID 113284170

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methoxy-2-pyridinyl)pyrrolidin-2-yl]propan-2-amine?
The IUPAC name of 1-[1-(5-methoxy-2-pyridinyl)pyrrolidin-2-yl]propan-2-amine (CID 112748048) is 1-[1-(5-methoxy-2-pyridinyl)pyrrolidin-2-yl]propan-2-amine.
What is the SMILES notation for 1-[1-(5-methoxy-2-pyridinyl)pyrrolidin-2-yl]propan-2-amine?
The canonical SMILES for 1-[1-(5-methoxy-2-pyridinyl)pyrrolidin-2-yl]propan-2-amine is COc1ccc(N2CCCC2CC(C)N)nc1.
What is the InChIKey of 1-[1-(5-methoxy-2-pyridinyl)pyrrolidin-2-yl]propan-2-amine?
The InChIKey is GZFZXHVVFQMILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(14)8-11-4-3-7-16(11)13-6-5-12(17-2)9-15-13/h5-6,9-11H,3-4,7-8,14H2,1-2H3.
What are the key properties of 1-[1-(5-methoxy-2-pyridinyl)pyrrolidin-2-yl]propan-2-amine?
1-[1-(5-methoxy-2-pyridinyl)pyrrolidin-2-yl]propan-2-amine has a molecular weight of 235.33 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methoxy-2-pyridinyl)pyrrolidin-2-yl]propan-2-amine is sourced from PubChem (CID 112748048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).