N-ethyl-2-methoxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-amine

C14H24N2O — CID 116720426

IUPACN-ethyl-2-methoxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-amine
SMILESCCNC(c1ccc(C)nc1)C(OC)C(C)C
InChIInChI=1S/C14H24N2O/c1-6-15-13(14(17-5)10(2)3)12-8-7-11(4)16-9-12/h7-10,13-15H,6H2,1-5H3
InChIKeyQBBIIVGIWMHPMB-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.71
Rot. Bonds6

About N-ethyl-2-methoxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-amine

N-ethyl-2-methoxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-amine (PubChem CID 116720426) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-ethyl-2-methoxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methoxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-amine
PubChem CID116720426
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-ethyl-2-methoxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-amine
SMILESCCNC(c1ccc(C)nc1)C(OC)C(C)C
InChIInChI=1S/C14H24N2O/c1-6-15-13(14(17-5)10(2)3)12-8-7-11(4)16-9-12/h7-10,13-15H,6H2,1-5H3
InChIKeyQBBIIVGIWMHPMB-UHFFFAOYSA-N
XLogP2.71
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-methoxy-2-methyl-1-(6-methyl-3-pyridinyl)butan-1-amine
CID 105185057
N-ethyl-2-methyl-1-(6-methyl-3-pyridinyl)pentan-1-amine
CID 115854971
N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 63155732
N-ethyl-4-methyl-1-(6-methyl-3-pyridinyl)pentan-1-amine
CID 63156106
1-(3,4-dimethoxyphenyl)-N-ethyl-2-methoxy-3-methylbutan-1-amine
CID 116720295
2-cyclopropyl-2-ethoxy-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 116723795
2-ethoxy-N-ethyl-1-(6-methyl-3-pyridinyl)-2-phenylethanamine
CID 116773800
2-methoxy-N-methyl-1-(6-methyl-3-pyridinyl)propan-1-amine
CID 79617046
2,3-dimethyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine
CID 115854567
N-ethyl-1-(6-methyl-3-pyridinyl)-2-propan-2-yloxyethanamine
CID 105146359
ethane;(1S)-N-ethyl-1-(6-methyl-3-pyridinyl)propan-1-amine
CID 143971638
1-(2-ethoxyphenyl)-N-ethyl-2-methoxy-3-methylbutan-1-amine
CID 116720230

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-amine?
The IUPAC name of N-ethyl-2-methoxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-amine (CID 116720426) is N-ethyl-2-methoxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-amine.
What is the SMILES notation for N-ethyl-2-methoxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-amine?
The canonical SMILES for N-ethyl-2-methoxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-amine is CCNC(c1ccc(C)nc1)C(OC)C(C)C.
What is the InChIKey of N-ethyl-2-methoxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-amine?
The InChIKey is QBBIIVGIWMHPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-6-15-13(14(17-5)10(2)3)12-8-7-11(4)16-9-12/h7-10,13-15H,6H2,1-5H3.
What are the key properties of N-ethyl-2-methoxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-amine?
N-ethyl-2-methoxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-amine is sourced from PubChem (CID 116720426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).