5-(2-aminopropyl)-N-methyl-N-pentylpyridin-2-amine

C14H25N3 — CID 80633509

IUPAC5-(2-aminopropyl)-N-methyl-N-pentylpyridin-2-amine
SMILESCCCCCN(C)c1ccc(CC(C)N)cn1
InChIInChI=1S/C14H25N3/c1-4-5-6-9-17(3)14-8-7-13(11-16-14)10-12(2)15/h7-8,11-12H,4-6,9-10,15H2,1-3H3
InChIKeyCXNKNAZHURPMAF-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.60
Rot. Bonds7

About 5-(2-aminopropyl)-N-methyl-N-pentylpyridin-2-amine

5-(2-aminopropyl)-N-methyl-N-pentylpyridin-2-amine (PubChem CID 80633509) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is 5-(2-aminopropyl)-N-methyl-N-pentylpyridin-2-amine.

Molecular Properties

Compound Name5-(2-aminopropyl)-N-methyl-N-pentylpyridin-2-amine
PubChem CID80633509
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name5-(2-aminopropyl)-N-methyl-N-pentylpyridin-2-amine
SMILESCCCCCN(C)c1ccc(CC(C)N)cn1
InChIInChI=1S/C14H25N3/c1-4-5-6-9-17(3)14-8-7-13(11-16-14)10-12(2)15/h7-8,11-12H,4-6,9-10,15H2,1-3H3
InChIKeyCXNKNAZHURPMAF-UHFFFAOYSA-N
XLogP2.60
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.60
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-methyl-N-pentylpyridin-2-amine?
The IUPAC name of 5-(2-aminopropyl)-N-methyl-N-pentylpyridin-2-amine (CID 80633509) is 5-(2-aminopropyl)-N-methyl-N-pentylpyridin-2-amine.
What is the SMILES notation for 5-(2-aminopropyl)-N-methyl-N-pentylpyridin-2-amine?
The canonical SMILES for 5-(2-aminopropyl)-N-methyl-N-pentylpyridin-2-amine is CCCCCN(C)c1ccc(CC(C)N)cn1.
What is the InChIKey of 5-(2-aminopropyl)-N-methyl-N-pentylpyridin-2-amine?
The InChIKey is CXNKNAZHURPMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-4-5-6-9-17(3)14-8-7-13(11-16-14)10-12(2)15/h7-8,11-12H,4-6,9-10,15H2,1-3H3.
What are the key properties of 5-(2-aminopropyl)-N-methyl-N-pentylpyridin-2-amine?
5-(2-aminopropyl)-N-methyl-N-pentylpyridin-2-amine has a molecular weight of 235.38 g/mol, XLogP of 2.60, 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-methyl-N-pentylpyridin-2-amine is sourced from PubChem (CID 80633509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).