5-(2-aminopropyl)-N,3-dimethyl-N-pentylpyridin-2-amine

C15H27N3 — CID 80633736

IUPAC5-(2-aminopropyl)-N,3-dimethyl-N-pentylpyridin-2-amine
SMILESCCCCCN(C)c1ncc(CC(C)N)cc1C
InChIInChI=1S/C15H27N3/c1-5-6-7-8-18(4)15-12(2)9-14(11-17-15)10-13(3)16/h9,11,13H,5-8,10,16H2,1-4H3
InChIKeyQSKJULFJNVGWQE-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.91
Rot. Bonds7

About 5-(2-aminopropyl)-N,3-dimethyl-N-pentylpyridin-2-amine

5-(2-aminopropyl)-N,3-dimethyl-N-pentylpyridin-2-amine (PubChem CID 80633736) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 5-(2-aminopropyl)-N,3-dimethyl-N-pentylpyridin-2-amine.

Molecular Properties

Compound Name5-(2-aminopropyl)-N,3-dimethyl-N-pentylpyridin-2-amine
PubChem CID80633736
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name5-(2-aminopropyl)-N,3-dimethyl-N-pentylpyridin-2-amine
SMILESCCCCCN(C)c1ncc(CC(C)N)cc1C
InChIInChI=1S/C15H27N3/c1-5-6-7-8-18(4)15-12(2)9-14(11-17-15)10-13(3)16/h9,11,13H,5-8,10,16H2,1-4H3
InChIKeyQSKJULFJNVGWQE-UHFFFAOYSA-N
XLogP2.91
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.91
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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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropyl)-N,3-dimethyl-N-pentylpyridin-2-amine?
The IUPAC name of 5-(2-aminopropyl)-N,3-dimethyl-N-pentylpyridin-2-amine (CID 80633736) is 5-(2-aminopropyl)-N,3-dimethyl-N-pentylpyridin-2-amine.
What is the SMILES notation for 5-(2-aminopropyl)-N,3-dimethyl-N-pentylpyridin-2-amine?
The canonical SMILES for 5-(2-aminopropyl)-N,3-dimethyl-N-pentylpyridin-2-amine is CCCCCN(C)c1ncc(CC(C)N)cc1C.
What is the InChIKey of 5-(2-aminopropyl)-N,3-dimethyl-N-pentylpyridin-2-amine?
The InChIKey is QSKJULFJNVGWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-6-7-8-18(4)15-12(2)9-14(11-17-15)10-13(3)16/h9,11,13H,5-8,10,16H2,1-4H3.
What are the key properties of 5-(2-aminopropyl)-N,3-dimethyl-N-pentylpyridin-2-amine?
5-(2-aminopropyl)-N,3-dimethyl-N-pentylpyridin-2-amine has a molecular weight of 249.40 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropyl)-N,3-dimethyl-N-pentylpyridin-2-amine is sourced from PubChem (CID 80633736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).