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

C14H23N3 — CID 112584521

IUPAC1-[5-(3,3-dimethylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine
SMILESCCC(N)c1ccc(N2CCC(C)(C)C2)cn1
InChIInChI=1S/C14H23N3/c1-4-12(15)13-6-5-11(9-16-13)17-8-7-14(2,3)10-17/h5-6,9,12H,4,7-8,10,15H2,1-3H3
InChIKeySPAFZMDESIBINE-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.73
Rot. Bonds3

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

1-[5-(3,3-dimethylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine (PubChem CID 112584521) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-[5-(3,3-dimethylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name1-[5-(3,3-dimethylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine
PubChem CID112584521
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-[5-(3,3-dimethylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine
SMILESCCC(N)c1ccc(N2CCC(C)(C)C2)cn1
InChIInChI=1S/C14H23N3/c1-4-12(15)13-6-5-11(9-16-13)17-8-7-14(2,3)10-17/h5-6,9,12H,4,7-8,10,15H2,1-3H3
InChIKeySPAFZMDESIBINE-UHFFFAOYSA-N
XLogP2.73
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-3-methylpyrrolidin-3-ol
CID 103356557
(1S)-1-[5-(3,3-dimethylpiperidin-1-yl)-2-pyridinyl]ethanamine
CID 83127547
(1S)-1-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine
CID 103937012
(1R)-1-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]propan-1-amine
CID 113355072
(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
(1S)-1-[5-(3,4-dimethylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine
CID 113355142
1-[5-(1-oxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine
CID 112584315
1-[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine
CID 112584254
1-[1-[6-(1-aminopropyl)-3-pyridinyl]piperidin-4-yl]ethanol
CID 106836278
(1R)-1-[5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-pyridinyl]propan-1-amine
CID 103937123
1-[4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 103937415

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,3-dimethylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine?
The IUPAC name of 1-[5-(3,3-dimethylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine (CID 112584521) is 1-[5-(3,3-dimethylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine.
What is the SMILES notation for 1-[5-(3,3-dimethylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine?
The canonical SMILES for 1-[5-(3,3-dimethylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine is CCC(N)c1ccc(N2CCC(C)(C)C2)cn1.
What is the InChIKey of 1-[5-(3,3-dimethylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine?
The InChIKey is SPAFZMDESIBINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-4-12(15)13-6-5-11(9-16-13)17-8-7-14(2,3)10-17/h5-6,9,12H,4,7-8,10,15H2,1-3H3.
What are the key properties of 1-[5-(3,3-dimethylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine?
1-[5-(3,3-dimethylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,3-dimethylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 112584521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).