5-[(1S)-1-aminopropyl]-6-methyl-N-propan-2-ylpyridin-2-amine

C12H21N3 — CID 124502224

IUPAC5-[(1S)-1-aminopropyl]-6-methyl-N-propan-2-ylpyridin-2-amine
SMILESCC[C@H](N)c1ccc(NC(C)C)nc1C
InChIInChI=1S/C12H21N3/c1-5-11(13)10-6-7-12(14-8(2)3)15-9(10)4/h6-8,11H,5,13H2,1-4H3,(H,14,15)/t11-/m0/s1
InChIKeyCNMWPJBXRQGCHF-NSHDSACASA-N
MW207.32 g/mol
LogP2.62
Rot. Bonds4

About 5-[(1S)-1-aminopropyl]-6-methyl-N-propan-2-ylpyridin-2-amine

5-[(1S)-1-aminopropyl]-6-methyl-N-propan-2-ylpyridin-2-amine (PubChem CID 124502224) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 5-[(1S)-1-aminopropyl]-6-methyl-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name5-[(1S)-1-aminopropyl]-6-methyl-N-propan-2-ylpyridin-2-amine
PubChem CID124502224
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name5-[(1S)-1-aminopropyl]-6-methyl-N-propan-2-ylpyridin-2-amine
SMILESCC[C@H](N)c1ccc(NC(C)C)nc1C
InChIInChI=1S/C12H21N3/c1-5-11(13)10-6-7-12(14-8(2)3)15-9(10)4/h6-8,11H,5,13H2,1-4H3,(H,14,15)/t11-/m0/s1
InChIKeyCNMWPJBXRQGCHF-NSHDSACASA-N
XLogP2.62
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.62
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]-6-methyl-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 5-[(1S)-1-aminopropyl]-6-methyl-N-propan-2-ylpyridin-2-amine (CID 124502224) is 5-[(1S)-1-aminopropyl]-6-methyl-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 5-[(1S)-1-aminopropyl]-6-methyl-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 5-[(1S)-1-aminopropyl]-6-methyl-N-propan-2-ylpyridin-2-amine is CC[C@H](N)c1ccc(NC(C)C)nc1C.
What is the InChIKey of 5-[(1S)-1-aminopropyl]-6-methyl-N-propan-2-ylpyridin-2-amine?
The InChIKey is CNMWPJBXRQGCHF-NSHDSACASA-N. The full InChI is InChI=1S/C12H21N3/c1-5-11(13)10-6-7-12(14-8(2)3)15-9(10)4/h6-8,11H,5,13H2,1-4H3,(H,14,15)/t11-/m0/s1.
What are the key properties of 5-[(1S)-1-aminopropyl]-6-methyl-N-propan-2-ylpyridin-2-amine?
5-[(1S)-1-aminopropyl]-6-methyl-N-propan-2-ylpyridin-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-aminopropyl]-6-methyl-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 124502224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).