3-(1-pyridin-4-ylpyrrolidin-2-yl)propan-1-amine

C12H19N3 — CID 63758931

IUPAC3-(1-pyridin-4-ylpyrrolidin-2-yl)propan-1-amine
SMILESNCCCC1CCCN1c1ccncc1
InChIInChI=1S/C12H19N3/c13-7-1-3-11-4-2-10-15(11)12-5-8-14-9-6-12/h5-6,8-9,11H,1-4,7,10,13H2
InChIKeyJPASZVLSIAQICC-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.79
Rot. Bonds4

About 3-(1-pyridin-4-ylpyrrolidin-2-yl)propan-1-amine

3-(1-pyridin-4-ylpyrrolidin-2-yl)propan-1-amine (PubChem CID 63758931) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 3-(1-pyridin-4-ylpyrrolidin-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1-pyridin-4-ylpyrrolidin-2-yl)propan-1-amine
PubChem CID63758931
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name3-(1-pyridin-4-ylpyrrolidin-2-yl)propan-1-amine
SMILESNCCCC1CCCN1c1ccncc1
InChIInChI=1S/C12H19N3/c13-7-1-3-11-4-2-10-15(11)12-5-8-14-9-6-12/h5-6,8-9,11H,1-4,7,10,13H2
InChIKeyJPASZVLSIAQICC-UHFFFAOYSA-N
XLogP1.79
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-pyridin-4-ylazepan-2-yl)methanamine
CID 116640201
4-(1-phenylpiperidin-2-yl)butan-1-amine
CID 70110239
3-[1-(5-methylpyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine
CID 63761067
3-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine
CID 55243745
3-[1-(3,5-dichloro-2-pyridinyl)pyrrolidin-2-yl]propan-1-amine
CID 55243747
3-[1-(6-methoxy-2-pyridinyl)pyrrolidin-2-yl]propan-1-amine
CID 55241037
1-[2-(3-aminopropyl)pyrrolidin-1-yl]isoquinolin-7-ol
CID 106543368
3-[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]propan-1-amine
CID 63759489
2-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]pyrimidine
CID 110095085
4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyridine-2-carboximidamide
CID 62925971
3-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]propan-1-amine
CID 63760448
2-[(1-pyridin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
CID 126923152

Frequently Asked Questions

What is the IUPAC name of 3-(1-pyridin-4-ylpyrrolidin-2-yl)propan-1-amine?
The IUPAC name of 3-(1-pyridin-4-ylpyrrolidin-2-yl)propan-1-amine (CID 63758931) is 3-(1-pyridin-4-ylpyrrolidin-2-yl)propan-1-amine.
What is the SMILES notation for 3-(1-pyridin-4-ylpyrrolidin-2-yl)propan-1-amine?
The canonical SMILES for 3-(1-pyridin-4-ylpyrrolidin-2-yl)propan-1-amine is NCCCC1CCCN1c1ccncc1.
What is the InChIKey of 3-(1-pyridin-4-ylpyrrolidin-2-yl)propan-1-amine?
The InChIKey is JPASZVLSIAQICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c13-7-1-3-11-4-2-10-15(11)12-5-8-14-9-6-12/h5-6,8-9,11H,1-4,7,10,13H2.
What are the key properties of 3-(1-pyridin-4-ylpyrrolidin-2-yl)propan-1-amine?
3-(1-pyridin-4-ylpyrrolidin-2-yl)propan-1-amine has a molecular weight of 205.31 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-pyridin-4-ylpyrrolidin-2-yl)propan-1-amine is sourced from PubChem (CID 63758931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).