5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylpent-3-en-1-amine

C14H22N2O — CID 79591567

IUPAC5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylpent-3-en-1-amine
SMILESCNCCC=CCc1ncc(C)c(OC)c1C
InChIInChI=1S/C14H22N2O/c1-11-10-16-13(12(2)14(11)17-4)8-6-5-7-9-15-3/h5-6,10,15H,7-9H2,1-4H3
InChIKeyMOIXNWVDTLGNQF-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.42
Rot. Bonds6

About 5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylpent-3-en-1-amine

5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylpent-3-en-1-amine (PubChem CID 79591567) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylpent-3-en-1-amine.

Molecular Properties

Compound Name5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylpent-3-en-1-amine
PubChem CID79591567
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylpent-3-en-1-amine
SMILESCNCCC=CCc1ncc(C)c(OC)c1C
InChIInChI=1S/C14H22N2O/c1-11-10-16-13(12(2)14(11)17-4)8-6-5-7-9-15-3/h5-6,10,15H,7-9H2,1-4H3
InChIKeyMOIXNWVDTLGNQF-UHFFFAOYSA-N
XLogP2.42
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylpent-3-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]-N-methylethanamine
CID 62336622
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-(methylamino)butan-2-one
CID 116561189
1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclobutyl]-N-methylmethanamine
CID 65194645
1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopentyl]-N-methylmethanamine
CID 62724590
5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-methyl-N-propan-2-ylpent-3-en-1-amine
CID 79598235
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 43826046
N-tert-butyl-4-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-1-amine
CID 64503282
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-propylhexan-2-amine
CID 79412204
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyloctan-2-amine
CID 115843906
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine
CID 115843909
1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]oxan-4-yl]-N-methylmethanamine
CID 62906948
1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 62731017

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylpent-3-en-1-amine?
The IUPAC name of 5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylpent-3-en-1-amine (CID 79591567) is 5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylpent-3-en-1-amine.
What is the SMILES notation for 5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylpent-3-en-1-amine?
The canonical SMILES for 5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylpent-3-en-1-amine is CNCCC=CCc1ncc(C)c(OC)c1C.
What is the InChIKey of 5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylpent-3-en-1-amine?
The InChIKey is MOIXNWVDTLGNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-10-16-13(12(2)14(11)17-4)8-6-5-7-9-15-3/h5-6,10,15H,7-9H2,1-4H3.
What are the key properties of 5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylpent-3-en-1-amine?
5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylpent-3-en-1-amine has a molecular weight of 234.34 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylpent-3-en-1-amine is sourced from PubChem (CID 79591567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).