1-(3,5-dimethyl-2-pyridinyl)-N-ethyl-4-methoxybutan-1-amine

C14H24N2O — CID 114856913

IUPAC1-(3,5-dimethyl-2-pyridinyl)-N-ethyl-4-methoxybutan-1-amine
SMILESCCNC(CCCOC)c1ncc(C)cc1C
InChIInChI=1S/C14H24N2O/c1-5-15-13(7-6-8-17-4)14-12(3)9-11(2)10-16-14/h9-10,13,15H,5-8H2,1-4H3
InChIKeyJCVZNAXWPOJVAI-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.78
Rot. Bonds7

About 1-(3,5-dimethyl-2-pyridinyl)-N-ethyl-4-methoxybutan-1-amine

1-(3,5-dimethyl-2-pyridinyl)-N-ethyl-4-methoxybutan-1-amine (PubChem CID 114856913) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(3,5-dimethyl-2-pyridinyl)-N-ethyl-4-methoxybutan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethyl-2-pyridinyl)-N-ethyl-4-methoxybutan-1-amine
PubChem CID114856913
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(3,5-dimethyl-2-pyridinyl)-N-ethyl-4-methoxybutan-1-amine
SMILESCCNC(CCCOC)c1ncc(C)cc1C
InChIInChI=1S/C14H24N2O/c1-5-15-13(7-6-8-17-4)14-12(3)9-11(2)10-16-14/h9-10,13,15H,5-8H2,1-4H3
InChIKeyJCVZNAXWPOJVAI-UHFFFAOYSA-N
XLogP2.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dimethyl-2-pyridinyl)-N-ethylhex-4-yn-1-amine
CID 104807424
1-(3,5-dimethyl-2-pyridinyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 114475843
N-ethyl-4-methoxy-1-(4-methyl-2-pyridinyl)butan-1-amine
CID 115619035
1-(3,5-dimethyl-2-pyridinyl)-N-ethyl-2-methylpentan-1-amine
CID 107896833
N-ethyl-4-methoxy-1-(5-methylfuran-3-yl)butan-1-amine
CID 105055011
1-(3-bromo-5-methylphenyl)-N-ethyl-5-methoxypentan-1-amine
CID 112754827
1-(3,5-difluorophenyl)-N-ethyl-4-methoxybutan-1-amine
CID 62605745
N-ethyl-1-(1H-imidazol-2-yl)-4-methoxybutan-1-amine
CID 114856593
N-ethyl-4-methoxy-1-(4-propoxyphenyl)butan-1-amine
CID 65092226
1-(3-bromoquinolin-2-yl)-N-ethyl-4-methoxybutan-1-amine
CID 114856703
N-ethyl-4-methoxy-1-(1-methylimidazol-4-yl)butan-1-amine
CID 107977818
2-(2-chloro-5-fluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)-N-ethylethanamine
CID 102619289

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-2-pyridinyl)-N-ethyl-4-methoxybutan-1-amine?
The IUPAC name of 1-(3,5-dimethyl-2-pyridinyl)-N-ethyl-4-methoxybutan-1-amine (CID 114856913) is 1-(3,5-dimethyl-2-pyridinyl)-N-ethyl-4-methoxybutan-1-amine.
What is the SMILES notation for 1-(3,5-dimethyl-2-pyridinyl)-N-ethyl-4-methoxybutan-1-amine?
The canonical SMILES for 1-(3,5-dimethyl-2-pyridinyl)-N-ethyl-4-methoxybutan-1-amine is CCNC(CCCOC)c1ncc(C)cc1C.
What is the InChIKey of 1-(3,5-dimethyl-2-pyridinyl)-N-ethyl-4-methoxybutan-1-amine?
The InChIKey is JCVZNAXWPOJVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-15-13(7-6-8-17-4)14-12(3)9-11(2)10-16-14/h9-10,13,15H,5-8H2,1-4H3.
What are the key properties of 1-(3,5-dimethyl-2-pyridinyl)-N-ethyl-4-methoxybutan-1-amine?
1-(3,5-dimethyl-2-pyridinyl)-N-ethyl-4-methoxybutan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-2-pyridinyl)-N-ethyl-4-methoxybutan-1-amine is sourced from PubChem (CID 114856913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).