(2S)-N-ethyl-1-(4-methyl-2-pyridinyl)propan-2-amine

C11H18N2 — CID 28923762

IUPAC(2S)-N-ethyl-1-(4-methyl-2-pyridinyl)propan-2-amine
SMILESCCN[C@@H](C)Cc1cc(C)ccn1
InChIInChI=1S/C11H18N2/c1-4-12-10(3)8-11-7-9(2)5-6-13-11/h5-7,10,12H,4,8H2,1-3H3/t10-/m0/s1
InChIKeySJBRTTYJLCWNSO-JTQLQIEISA-N
MW178.28 g/mol
LogP1.93
Rot. Bonds4

About (2S)-N-ethyl-1-(4-methyl-2-pyridinyl)propan-2-amine

(2S)-N-ethyl-1-(4-methyl-2-pyridinyl)propan-2-amine (PubChem CID 28923762) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (2S)-N-ethyl-1-(4-methyl-2-pyridinyl)propan-2-amine.

Molecular Properties

Compound Name(2S)-N-ethyl-1-(4-methyl-2-pyridinyl)propan-2-amine
PubChem CID28923762
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(2S)-N-ethyl-1-(4-methyl-2-pyridinyl)propan-2-amine
SMILESCCN[C@@H](C)Cc1cc(C)ccn1
InChIInChI=1S/C11H18N2/c1-4-12-10(3)8-11-7-9(2)5-6-13-11/h5-7,10,12H,4,8H2,1-3H3/t10-/m0/s1
InChIKeySJBRTTYJLCWNSO-JTQLQIEISA-N
XLogP1.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 16640575
N-ethyl-1-[4-(trifluoromethyl)-2-pyridinyl]propan-2-amine
CID 66328316
2-[(2S)-2,3-dimethylbutyl]-4-methylpyridine
CID 152828234
N-ethyl-1-(6-methylpyrimidin-4-yl)propan-2-amine
CID 63200457
N,3-dimethyl-1-(4-methyl-2-pyridinyl)butan-2-amine
CID 63201754
N-ethyl-1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63841054
2-(2-chloropentyl)-4-methylpyridine
CID 18799713
ethane;2-(2-ethylpentyl)-4-methylpyridine
CID 145149473
N-ethylethanamine;2-(4-methyl-2-pyridinyl)ethanol
CID 18799998
methyl (2S)-2-amino-3-(4-methyl-2-pyridinyl)propanoate
CID 155904663
N-ethyl-2,4-dimethyl-1-(4-methyl-2-pyridinyl)pentan-1-amine
CID 114284868
(2R)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 124752794

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-1-(4-methyl-2-pyridinyl)propan-2-amine?
The IUPAC name of (2S)-N-ethyl-1-(4-methyl-2-pyridinyl)propan-2-amine (CID 28923762) is (2S)-N-ethyl-1-(4-methyl-2-pyridinyl)propan-2-amine.
What is the SMILES notation for (2S)-N-ethyl-1-(4-methyl-2-pyridinyl)propan-2-amine?
The canonical SMILES for (2S)-N-ethyl-1-(4-methyl-2-pyridinyl)propan-2-amine is CCN[C@@H](C)Cc1cc(C)ccn1.
What is the InChIKey of (2S)-N-ethyl-1-(4-methyl-2-pyridinyl)propan-2-amine?
The InChIKey is SJBRTTYJLCWNSO-JTQLQIEISA-N. The full InChI is InChI=1S/C11H18N2/c1-4-12-10(3)8-11-7-9(2)5-6-13-11/h5-7,10,12H,4,8H2,1-3H3/t10-/m0/s1.
What are the key properties of (2S)-N-ethyl-1-(4-methyl-2-pyridinyl)propan-2-amine?
(2S)-N-ethyl-1-(4-methyl-2-pyridinyl)propan-2-amine has a molecular weight of 178.28 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-1-(4-methyl-2-pyridinyl)propan-2-amine is sourced from PubChem (CID 28923762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).