5-[(1S)-1-aminoethyl]-4-methyl-N-propylpyridin-2-amine

C11H19N3 — CID 124501811

IUPAC5-[(1S)-1-aminoethyl]-4-methyl-N-propylpyridin-2-amine
SMILESCCCNc1cc(C)c([C@H](C)N)cn1
InChIInChI=1S/C11H19N3/c1-4-5-13-11-6-8(2)10(7-14-11)9(3)12/h6-7,9H,4-5,12H2,1-3H3,(H,13,14)/t9-/m0/s1
InChIKeyPDSDTRBVCGSFEM-VIFPVBQESA-N
MW193.29 g/mol
LogP2.23
Rot. Bonds4

About 5-[(1S)-1-aminoethyl]-4-methyl-N-propylpyridin-2-amine

5-[(1S)-1-aminoethyl]-4-methyl-N-propylpyridin-2-amine (PubChem CID 124501811) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 5-[(1S)-1-aminoethyl]-4-methyl-N-propylpyridin-2-amine.

Molecular Properties

Compound Name5-[(1S)-1-aminoethyl]-4-methyl-N-propylpyridin-2-amine
PubChem CID124501811
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name5-[(1S)-1-aminoethyl]-4-methyl-N-propylpyridin-2-amine
SMILESCCCNc1cc(C)c([C@H](C)N)cn1
InChIInChI=1S/C11H19N3/c1-4-5-13-11-6-8(2)10(7-14-11)9(3)12/h6-7,9H,4-5,12H2,1-3H3,(H,13,14)/t9-/m0/s1
InChIKeyPDSDTRBVCGSFEM-VIFPVBQESA-N
XLogP2.23
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-aminoethyl)-4-methyl-N-propylpyridin-2-amine
CID 102545296
5-[(1S)-1-aminopropyl]-4-methyl-N-propylpyridin-2-amine
CID 124501813
5-(1-aminopropyl)-4-methyl-N-propylpyridin-2-amine
CID 102545297
5-(aminomethyl)-4-methyl-N-propylpyridin-2-amine
CID 102545289
(S)-[4-methyl-6-(propylamino)-3-pyridinyl]-phenylmethanol
CID 124501809
[4-methyl-6-(propylamino)-3-pyridinyl]-phenylmethanol
CID 102545295
5-(chloromethyl)-4-methyl-N-propylpyridin-2-amine
CID 102545284
5-[(1S)-1-aminopropyl]-N-tert-butyl-4-methylpyridin-2-amine
CID 124502187
N'-(5-bromo-4-methyl-2-pyridinyl)-N-propylethane-1,2-diamine
CID 114869496
4-N-[1-(diethylamino)propan-2-yl]-6-N-propylpyrimidine-4,6-diamine
CID 80816058
3-methyl-4-[[6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 80851233
2-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylpyridine-2,5-diamine
CID 79173924

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-aminoethyl]-4-methyl-N-propylpyridin-2-amine?
The IUPAC name of 5-[(1S)-1-aminoethyl]-4-methyl-N-propylpyridin-2-amine (CID 124501811) is 5-[(1S)-1-aminoethyl]-4-methyl-N-propylpyridin-2-amine.
What is the SMILES notation for 5-[(1S)-1-aminoethyl]-4-methyl-N-propylpyridin-2-amine?
The canonical SMILES for 5-[(1S)-1-aminoethyl]-4-methyl-N-propylpyridin-2-amine is CCCNc1cc(C)c([C@H](C)N)cn1.
What is the InChIKey of 5-[(1S)-1-aminoethyl]-4-methyl-N-propylpyridin-2-amine?
The InChIKey is PDSDTRBVCGSFEM-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19N3/c1-4-5-13-11-6-8(2)10(7-14-11)9(3)12/h6-7,9H,4-5,12H2,1-3H3,(H,13,14)/t9-/m0/s1.
What are the key properties of 5-[(1S)-1-aminoethyl]-4-methyl-N-propylpyridin-2-amine?
5-[(1S)-1-aminoethyl]-4-methyl-N-propylpyridin-2-amine has a molecular weight of 193.29 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-aminoethyl]-4-methyl-N-propylpyridin-2-amine is sourced from PubChem (CID 124501811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).