5-[(1S)-1-aminopropyl]-N-tert-butyl-4-methylpyridin-2-amine

C13H23N3 — CID 124502187

IUPAC5-[(1S)-1-aminopropyl]-N-tert-butyl-4-methylpyridin-2-amine
SMILESCC[C@H](N)c1cnc(NC(C)(C)C)cc1C
InChIInChI=1S/C13H23N3/c1-6-11(14)10-8-15-12(7-9(10)2)16-13(3,4)5/h7-8,11H,6,14H2,1-5H3,(H,15,16)/t11-/m0/s1
InChIKeyRYNZXGBMPPCNGV-NSHDSACASA-N
MW221.35 g/mol
LogP3.01
Rot. Bonds3

About 5-[(1S)-1-aminopropyl]-N-tert-butyl-4-methylpyridin-2-amine

5-[(1S)-1-aminopropyl]-N-tert-butyl-4-methylpyridin-2-amine (PubChem CID 124502187) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 5-[(1S)-1-aminopropyl]-N-tert-butyl-4-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[(1S)-1-aminopropyl]-N-tert-butyl-4-methylpyridin-2-amine
PubChem CID124502187
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name5-[(1S)-1-aminopropyl]-N-tert-butyl-4-methylpyridin-2-amine
SMILESCC[C@H](N)c1cnc(NC(C)(C)C)cc1C
InChIInChI=1S/C13H23N3/c1-6-11(14)10-8-15-12(7-9(10)2)16-13(3,4)5/h7-8,11H,6,14H2,1-5H3,(H,15,16)/t11-/m0/s1
InChIKeyRYNZXGBMPPCNGV-NSHDSACASA-N
XLogP3.01
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-aminopropyl]-N-tert-butyl-4-methylpyridin-2-amine?
The IUPAC name of 5-[(1S)-1-aminopropyl]-N-tert-butyl-4-methylpyridin-2-amine (CID 124502187) is 5-[(1S)-1-aminopropyl]-N-tert-butyl-4-methylpyridin-2-amine.
What is the SMILES notation for 5-[(1S)-1-aminopropyl]-N-tert-butyl-4-methylpyridin-2-amine?
The canonical SMILES for 5-[(1S)-1-aminopropyl]-N-tert-butyl-4-methylpyridin-2-amine is CC[C@H](N)c1cnc(NC(C)(C)C)cc1C.
What is the InChIKey of 5-[(1S)-1-aminopropyl]-N-tert-butyl-4-methylpyridin-2-amine?
The InChIKey is RYNZXGBMPPCNGV-NSHDSACASA-N. The full InChI is InChI=1S/C13H23N3/c1-6-11(14)10-8-15-12(7-9(10)2)16-13(3,4)5/h7-8,11H,6,14H2,1-5H3,(H,15,16)/t11-/m0/s1.
What are the key properties of 5-[(1S)-1-aminopropyl]-N-tert-butyl-4-methylpyridin-2-amine?
5-[(1S)-1-aminopropyl]-N-tert-butyl-4-methylpyridin-2-amine has a molecular weight of 221.35 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-aminopropyl]-N-tert-butyl-4-methylpyridin-2-amine is sourced from PubChem (CID 124502187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).