ethane;(1S)-N-ethyl-1-(6-methyl-3-pyridinyl)propan-1-amine

C13H24N2 — CID 143971638

IUPACethane;(1S)-N-ethyl-1-(6-methyl-3-pyridinyl)propan-1-amine
SMILESCC.CCN[C@@H](CC)c1ccc(C)nc1
InChIInChI=1S/C11H18N2.C2H6/c1-4-11(12-5-2)10-7-6-9(3)13-8-10;1-2/h6-8,11-12H,4-5H2,1-3H3;1-2H3/t11-;/m0./s1
InChIKeyPYXCEYJDLHMNBK-MERQFXBCSA-N
MW208.35 g/mol
LogP3.48
Rot. Bonds4

About ethane;(1S)-N-ethyl-1-(6-methyl-3-pyridinyl)propan-1-amine

ethane;(1S)-N-ethyl-1-(6-methyl-3-pyridinyl)propan-1-amine (PubChem CID 143971638) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is ethane;(1S)-N-ethyl-1-(6-methyl-3-pyridinyl)propan-1-amine.

Molecular Properties

Compound Nameethane;(1S)-N-ethyl-1-(6-methyl-3-pyridinyl)propan-1-amine
PubChem CID143971638
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Nameethane;(1S)-N-ethyl-1-(6-methyl-3-pyridinyl)propan-1-amine
SMILESCC.CCN[C@@H](CC)c1ccc(C)nc1
InChIInChI=1S/C11H18N2.C2H6/c1-4-11(12-5-2)10-7-6-9(3)13-8-10;1-2/h6-8,11-12H,4-5H2,1-3H3;1-2H3/t11-;/m0./s1
InChIKeyPYXCEYJDLHMNBK-MERQFXBCSA-N
XLogP3.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4-methyl-1-(6-methyl-3-pyridinyl)pentan-1-amine
CID 63156106
methyl 3-(ethylamino)-3-(6-methyl-3-pyridinyl)propanoate
CID 104823947
N-ethyl-1-(6-methyl-3-pyridinyl)-2-propan-2-yloxyethanamine
CID 105146359
N-ethyl-1-(6-methyl-3-pyridinyl)undecan-1-amine
CID 105138195
N-ethyl-1-(6-methyl-3-pyridinyl)octan-1-amine
CID 115855028
N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 63155732
N-ethyl-1-(6-methyl-3-pyridinyl)-2-propoxyethanamine
CID 63155925
2-(2,6-dimethylphenyl)-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 105174614
3-(ethylamino)-3-(6-methyl-3-pyridinyl)propanamide
CID 104823942
2-cycloheptyl-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 115854866
2-(2-chlorophenyl)-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 63155781
N-ethyl-2-(1-methylpyrazol-3-yl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 105175044

Frequently Asked Questions

What is the IUPAC name of ethane;(1S)-N-ethyl-1-(6-methyl-3-pyridinyl)propan-1-amine?
The IUPAC name of ethane;(1S)-N-ethyl-1-(6-methyl-3-pyridinyl)propan-1-amine (CID 143971638) is ethane;(1S)-N-ethyl-1-(6-methyl-3-pyridinyl)propan-1-amine.
What is the SMILES notation for ethane;(1S)-N-ethyl-1-(6-methyl-3-pyridinyl)propan-1-amine?
The canonical SMILES for ethane;(1S)-N-ethyl-1-(6-methyl-3-pyridinyl)propan-1-amine is CC.CCN[C@@H](CC)c1ccc(C)nc1.
What is the InChIKey of ethane;(1S)-N-ethyl-1-(6-methyl-3-pyridinyl)propan-1-amine?
The InChIKey is PYXCEYJDLHMNBK-MERQFXBCSA-N. The full InChI is InChI=1S/C11H18N2.C2H6/c1-4-11(12-5-2)10-7-6-9(3)13-8-10;1-2/h6-8,11-12H,4-5H2,1-3H3;1-2H3/t11-;/m0./s1.
What are the key properties of ethane;(1S)-N-ethyl-1-(6-methyl-3-pyridinyl)propan-1-amine?
ethane;(1S)-N-ethyl-1-(6-methyl-3-pyridinyl)propan-1-amine has a molecular weight of 208.35 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1S)-N-ethyl-1-(6-methyl-3-pyridinyl)propan-1-amine is sourced from PubChem (CID 143971638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).