5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-methyl-N-propan-2-ylpent-3-en-1-amine

C17H28N2O — CID 79598235

IUPAC5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-methyl-N-propan-2-ylpent-3-en-1-amine
SMILESCOc1c(C)cnc(CC(C)=CCCNC(C)C)c1C
InChIInChI=1S/C17H28N2O/c1-12(2)18-9-7-8-13(3)10-16-15(5)17(20-6)14(4)11-19-16/h8,11-12,18H,7,9-10H2,1-6H3
InChIKeyCCDIESRUGJHBCQ-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.58
Rot. Bonds7

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

5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-methyl-N-propan-2-ylpent-3-en-1-amine (PubChem CID 79598235) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-methyl-N-propan-2-ylpent-3-en-1-amine.

Molecular Properties

Compound Name5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-methyl-N-propan-2-ylpent-3-en-1-amine
PubChem CID79598235
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-methyl-N-propan-2-ylpent-3-en-1-amine
SMILESCOc1c(C)cnc(CC(C)=CCCNC(C)C)c1C
InChIInChI=1S/C17H28N2O/c1-12(2)18-9-7-8-13(3)10-16-15(5)17(20-6)14(4)11-19-16/h8,11-12,18H,7,9-10H2,1-6H3
InChIKeyCCDIESRUGJHBCQ-UHFFFAOYSA-N
XLogP3.58
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.58
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)-4-methyl-N-propan-2-ylpent-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

1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one
CID 62620221
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-4-methylpentan-1-ol
CID 61246593
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine
CID 102640970
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-(methylamino)butan-2-one
CID 116561189
1-[2-[bis[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]amino]ethylamino]ethanol
CID 102583756
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpentan-3-amine
CID 54954917
1-chloro-1,1-difluoro-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-one
CID 112574809
5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylpent-3-en-1-amine
CID 79591567
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]butan-1-ol
CID 43499789
5-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)hexan-2-ol
CID 105088777
3-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butan-1-amine
CID 65025177
4-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butan-2-amine
CID 83188547

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-methyl-N-propan-2-ylpent-3-en-1-amine?
The IUPAC name of 5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-methyl-N-propan-2-ylpent-3-en-1-amine (CID 79598235) is 5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-methyl-N-propan-2-ylpent-3-en-1-amine.
What is the SMILES notation for 5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-methyl-N-propan-2-ylpent-3-en-1-amine?
The canonical SMILES for 5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-methyl-N-propan-2-ylpent-3-en-1-amine is COc1c(C)cnc(CC(C)=CCCNC(C)C)c1C.
What is the InChIKey of 5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-methyl-N-propan-2-ylpent-3-en-1-amine?
The InChIKey is CCDIESRUGJHBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-12(2)18-9-7-8-13(3)10-16-15(5)17(20-6)14(4)11-19-16/h8,11-12,18H,7,9-10H2,1-6H3.
What are the key properties of 5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-methyl-N-propan-2-ylpent-3-en-1-amine?
5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-methyl-N-propan-2-ylpent-3-en-1-amine has a molecular weight of 276.42 g/mol, XLogP of 3.58, 7 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)-4-methyl-N-propan-2-ylpent-3-en-1-amine is sourced from PubChem (CID 79598235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).