5-(2-aminopropyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine

C17H31N3 — CID 80634906

IUPAC5-(2-aminopropyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine
SMILESCCC(CC)N(CC(C)C)c1ccc(CC(C)N)cn1
InChIInChI=1S/C17H31N3/c1-6-16(7-2)20(12-13(3)4)17-9-8-15(11-19-17)10-14(5)18/h8-9,11,13-14,16H,6-7,10,12,18H2,1-5H3
InChIKeyDYOGZLRMEKOCQZ-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.62
Rot. Bonds8

About 5-(2-aminopropyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine

5-(2-aminopropyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine (PubChem CID 80634906) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 5-(2-aminopropyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine.

Molecular Properties

Compound Name5-(2-aminopropyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine
PubChem CID80634906
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name5-(2-aminopropyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine
SMILESCCC(CC)N(CC(C)C)c1ccc(CC(C)N)cn1
InChIInChI=1S/C17H31N3/c1-6-16(7-2)20(12-13(3)4)17-9-8-15(11-19-17)10-14(5)18/h8-9,11,13-14,16H,6-7,10,12,18H2,1-5H3
InChIKeyDYOGZLRMEKOCQZ-UHFFFAOYSA-N
XLogP3.62
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine?
The IUPAC name of 5-(2-aminopropyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine (CID 80634906) is 5-(2-aminopropyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine.
What is the SMILES notation for 5-(2-aminopropyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine?
The canonical SMILES for 5-(2-aminopropyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine is CCC(CC)N(CC(C)C)c1ccc(CC(C)N)cn1.
What is the InChIKey of 5-(2-aminopropyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine?
The InChIKey is DYOGZLRMEKOCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-6-16(7-2)20(12-13(3)4)17-9-8-15(11-19-17)10-14(5)18/h8-9,11,13-14,16H,6-7,10,12,18H2,1-5H3.
What are the key properties of 5-(2-aminopropyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine?
5-(2-aminopropyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine has a molecular weight of 277.46 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine is sourced from PubChem (CID 80634906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).