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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Related Compounds

5-[(1R)-1-aminopropyl]-N-tert-butyl-6-methylpyridin-2-amine
CID 124502702
2-methyl-6-(propan-2-ylamino)pyridine-3-carbaldehyde
CID 102545901
1-(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)propan-1-amine
CID 102546442
2-methyl-6-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 79885614
(1S)-1-(6-benzylsulfanyl-2-methyl-3-pyridinyl)propan-1-amine
CID 124502443
5-(1-aminopropyl)-N-benzyl-N,6-dimethylpyridin-2-amine
CID 102546157
(2R)-2-amino-2-(2,6-dimethyl-3-pyridinyl)ethanol
CID 96740448
2-N-propan-2-yl-6-propoxypyridine-2,5-diamine
CID 43260874
(1R)-1-[2-methyl-6-(propylamino)-3-pyridinyl]propan-1-ol
CID 124502320
(1S)-1-(2,6-difluoro-3-pyridinyl)propan-1-amine
CID 55292186
1-(2,6-dimethyl-3-pyridinyl)-N-methylpropan-1-amine
CID 105078634
1-(2,6-dimethyl-3-pyridinyl)-3-methylidenepentan-1-amine
CID 105163949

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).