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

C16H26N4 — CID 63171978

IUPAC1-pyridin-4-yl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine
SMILESCC(N)C(c1ccncc1)N1CCC(N2CCCC2)C1
InChIInChI=1S/C16H26N4/c1-13(17)16(14-4-7-18-8-5-14)20-11-6-15(12-20)19-9-2-3-10-19/h4-5,7-8,13,15-16H,2-3,6,9-12,17H2,1H3
InChIKeyJFAMRBKUHOSLIG-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.64
Rot. Bonds4

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

1-pyridin-4-yl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine (PubChem CID 63171978) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-pyridin-4-yl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-pyridin-4-yl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine
PubChem CID63171978
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name1-pyridin-4-yl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine
SMILESCC(N)C(c1ccncc1)N1CCC(N2CCCC2)C1
InChIInChI=1S/C16H26N4/c1-13(17)16(14-4-7-18-8-5-14)20-11-6-15(12-20)19-9-2-3-10-19/h4-5,7-8,13,15-16H,2-3,6,9-12,17H2,1H3
InChIKeyJFAMRBKUHOSLIG-UHFFFAOYSA-N
XLogP1.64
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine?
The IUPAC name of 1-pyridin-4-yl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine (CID 63171978) is 1-pyridin-4-yl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine.
What is the SMILES notation for 1-pyridin-4-yl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine?
The canonical SMILES for 1-pyridin-4-yl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine is CC(N)C(c1ccncc1)N1CCC(N2CCCC2)C1.
What is the InChIKey of 1-pyridin-4-yl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine?
The InChIKey is JFAMRBKUHOSLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-13(17)16(14-4-7-18-8-5-14)20-11-6-15(12-20)19-9-2-3-10-19/h4-5,7-8,13,15-16H,2-3,6,9-12,17H2,1H3.
What are the key properties of 1-pyridin-4-yl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine?
1-pyridin-4-yl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine has a molecular weight of 274.41 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-yl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine is sourced from PubChem (CID 63171978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).