5-[(1S)-1-aminopropyl]-N-ethyl-N,4-dimethylpyridin-2-amine

C12H21N3 — CID 124501825

IUPAC5-[(1S)-1-aminopropyl]-N-ethyl-N,4-dimethylpyridin-2-amine
SMILESCC[C@H](N)c1cnc(N(C)CC)cc1C
InChIInChI=1S/C12H21N3/c1-5-11(13)10-8-14-12(7-9(10)3)15(4)6-2/h7-8,11H,5-6,13H2,1-4H3/t11-/m0/s1
InChIKeyGGOSXMPHEPACAQ-NSHDSACASA-N
MW207.32 g/mol
LogP2.26
Rot. Bonds4

About 5-[(1S)-1-aminopropyl]-N-ethyl-N,4-dimethylpyridin-2-amine

5-[(1S)-1-aminopropyl]-N-ethyl-N,4-dimethylpyridin-2-amine (PubChem CID 124501825) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 5-[(1S)-1-aminopropyl]-N-ethyl-N,4-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-[(1S)-1-aminopropyl]-N-ethyl-N,4-dimethylpyridin-2-amine
PubChem CID124501825
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name5-[(1S)-1-aminopropyl]-N-ethyl-N,4-dimethylpyridin-2-amine
SMILESCC[C@H](N)c1cnc(N(C)CC)cc1C
InChIInChI=1S/C12H21N3/c1-5-11(13)10-8-14-12(7-9(10)3)15(4)6-2/h7-8,11H,5-6,13H2,1-4H3/t11-/m0/s1
InChIKeyGGOSXMPHEPACAQ-NSHDSACASA-N
XLogP2.26
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-aminopropyl]-N-ethyl-N,4-dimethylpyridin-2-amine?
The IUPAC name of 5-[(1S)-1-aminopropyl]-N-ethyl-N,4-dimethylpyridin-2-amine (CID 124501825) is 5-[(1S)-1-aminopropyl]-N-ethyl-N,4-dimethylpyridin-2-amine.
What is the SMILES notation for 5-[(1S)-1-aminopropyl]-N-ethyl-N,4-dimethylpyridin-2-amine?
The canonical SMILES for 5-[(1S)-1-aminopropyl]-N-ethyl-N,4-dimethylpyridin-2-amine is CC[C@H](N)c1cnc(N(C)CC)cc1C.
What is the InChIKey of 5-[(1S)-1-aminopropyl]-N-ethyl-N,4-dimethylpyridin-2-amine?
The InChIKey is GGOSXMPHEPACAQ-NSHDSACASA-N. The full InChI is InChI=1S/C12H21N3/c1-5-11(13)10-8-14-12(7-9(10)3)15(4)6-2/h7-8,11H,5-6,13H2,1-4H3/t11-/m0/s1.
What are the key properties of 5-[(1S)-1-aminopropyl]-N-ethyl-N,4-dimethylpyridin-2-amine?
5-[(1S)-1-aminopropyl]-N-ethyl-N,4-dimethylpyridin-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-aminopropyl]-N-ethyl-N,4-dimethylpyridin-2-amine is sourced from PubChem (CID 124501825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).