1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-2,4-dimethylpentan-2-ol

C16H28N2O2 — CID 66180990

IUPAC1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-2,4-dimethylpentan-2-ol
SMILESCOc1c(C)cnc(CNCC(C)(O)CC(C)C)c1C
InChIInChI=1S/C16H28N2O2/c1-11(2)7-16(5,19)10-17-9-14-13(4)15(20-6)12(3)8-18-14/h8,11,17,19H,7,9-10H2,1-6H3
InChIKeyIKKGODPWLNNPQD-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.59
Rot. Bonds7

About 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-2,4-dimethylpentan-2-ol

1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-2,4-dimethylpentan-2-ol (PubChem CID 66180990) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-2,4-dimethylpentan-2-ol
PubChem CID66180990
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-2,4-dimethylpentan-2-ol
SMILESCOc1c(C)cnc(CNCC(C)(O)CC(C)C)c1C
InChIInChI=1S/C16H28N2O2/c1-11(2)7-16(5,19)10-17-9-14-13(4)15(20-6)12(3)8-18-14/h8,11,17,19H,7,9-10H2,1-6H3
InChIKeyIKKGODPWLNNPQD-UHFFFAOYSA-N
XLogP2.59
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-2,4-dimethylpentan-2-ol with MolForge

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Related Compounds

1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-2-methylbutan-2-ol
CID 65106545
N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 28572737
2-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propan-1-amine
CID 102698009
3-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butan-1-amine
CID 65025177
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 28568814
4-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbutan-1-amine
CID 66089924
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-4-methylpentan-1-ol
CID 61246593
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
CID 62996931
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103949908
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpentan-3-amine
CID 54954917
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-N,N-dimethylacetamide
CID 43310961
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-1-phenylethanol
CID 43499835

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-2,4-dimethylpentan-2-ol (CID 66180990) is 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-2,4-dimethylpentan-2-ol is COc1c(C)cnc(CNCC(C)(O)CC(C)C)c1C.
What is the InChIKey of 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-2,4-dimethylpentan-2-ol?
The InChIKey is IKKGODPWLNNPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-11(2)7-16(5,19)10-17-9-14-13(4)15(20-6)12(3)8-18-14/h8,11,17,19H,7,9-10H2,1-6H3.
What are the key properties of 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-2,4-dimethylpentan-2-ol?
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-2,4-dimethylpentan-2-ol has a molecular weight of 280.41 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 66180990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).