N-(2-pyridin-3-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine

C14H23N3 — CID 54961065

IUPACN-(2-pyridin-3-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine
SMILESc1cncc(CCNCCCN2CCCC2)c1
InChIInChI=1S/C14H23N3/c1-2-11-17(10-1)12-4-8-15-9-6-14-5-3-7-16-13-14/h3,5,7,13,15H,1-2,4,6,8-12H2
InChIKeyIGFWJVZPNWFVIE-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.70
Rot. Bonds7

About N-(2-pyridin-3-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine

N-(2-pyridin-3-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 54961065) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-(2-pyridin-3-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-(2-pyridin-3-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID54961065
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-(2-pyridin-3-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine
SMILESc1cncc(CCNCCCN2CCCC2)c1
InChIInChI=1S/C14H23N3/c1-2-11-17(10-1)12-4-8-15-9-6-14-5-3-7-16-13-14/h3,5,7,13,15H,1-2,4,6,8-12H2
InChIKeyIGFWJVZPNWFVIE-UHFFFAOYSA-N
XLogP1.70
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-pyrrolidin-1-ylpropyl)pyridine
CID 70096862
4-piperazin-1-yl-N-(2-pyridin-3-ylethyl)butan-1-amine
CID 115240414
3-(2-pyrrolidin-1-ylethyl)pyridine
CID 23273673
3-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine
CID 28658239
3-methylsulfonyl-N-(2-pyridin-3-ylethyl)propan-1-amine
CID 63190850
3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]propan-1-amine
CID 55168058
1-(3-pyridin-3-ylpropyl)piperazine;trihydrochloride
CID 86694323
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
2-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 55168633
N-(cyclopentylmethyl)-2-pyridin-3-ylethanamine
CID 61344810
2-(4-methylpiperazin-2-yl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 115239483
N-benzyl-2-pyridin-3-ylethanamine
CID 60761296

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-3-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-(2-pyridin-3-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine (CID 54961065) is N-(2-pyridin-3-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-(2-pyridin-3-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-(2-pyridin-3-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine is c1cncc(CCNCCCN2CCCC2)c1.
What is the InChIKey of N-(2-pyridin-3-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is IGFWJVZPNWFVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-2-11-17(10-1)12-4-8-15-9-6-14-5-3-7-16-13-14/h3,5,7,13,15H,1-2,4,6,8-12H2.
What are the key properties of N-(2-pyridin-3-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine?
N-(2-pyridin-3-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-3-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 54961065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).