N-[(2-tert-butyl-6-methoxy-4-pyridinyl)methyl]-2-methylpropan-1-amine

C15H26N2O — CID 113381553

IUPACN-[(2-tert-butyl-6-methoxy-4-pyridinyl)methyl]-2-methylpropan-1-amine
SMILESCOc1cc(CNCC(C)C)cc(C(C)(C)C)n1
InChIInChI=1S/C15H26N2O/c1-11(2)9-16-10-12-7-13(15(3,4)5)17-14(8-12)18-6/h7-8,11,16H,9-10H2,1-6H3
InChIKeyIHLDESGUTNSJAT-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.13
Rot. Bonds5

About N-[(2-tert-butyl-6-methoxy-4-pyridinyl)methyl]-2-methylpropan-1-amine

N-[(2-tert-butyl-6-methoxy-4-pyridinyl)methyl]-2-methylpropan-1-amine (PubChem CID 113381553) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[(2-tert-butyl-6-methoxy-4-pyridinyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-tert-butyl-6-methoxy-4-pyridinyl)methyl]-2-methylpropan-1-amine
PubChem CID113381553
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[(2-tert-butyl-6-methoxy-4-pyridinyl)methyl]-2-methylpropan-1-amine
SMILESCOc1cc(CNCC(C)C)cc(C(C)(C)C)n1
InChIInChI=1S/C15H26N2O/c1-11(2)9-16-10-12-7-13(15(3,4)5)17-14(8-12)18-6/h7-8,11,16H,9-10H2,1-6H3
InChIKeyIHLDESGUTNSJAT-UHFFFAOYSA-N
XLogP3.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-tert-butyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 113381451
N-[(2-tert-butyl-6-pentan-2-yloxy-4-pyridinyl)methyl]ethanamine
CID 102985986
2-tert-butyl-6-methoxy-N-(2-methylpropyl)pyrimidin-4-amine
CID 82456804
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-1-amine
CID 62922160
1-[2-tert-butyl-6-(1-ethoxypropan-2-yloxy)-4-pyridinyl]-N-methylmethanamine
CID 103490442
N-(2-methoxypropyl)-6-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 102700801
2-tert-butyl-4-isocyano-6-methoxypyridine
CID 171717491
N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 60751693
N-[[4-(3,3-dimethylbutoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 63484932
2-methyl-N-[[2-(2-methylpropoxy)-4-pyridinyl]methyl]propan-1-amine
CID 62291047
[2-tert-butyl-6-(3-methylbutan-2-yloxy)-4-pyridinyl]methanamine
CID 113381656
N-[(5-methoxypyrazin-2-yl)methyl]-2-methylpropan-1-amine
CID 107381363

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-6-methoxy-4-pyridinyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(2-tert-butyl-6-methoxy-4-pyridinyl)methyl]-2-methylpropan-1-amine (CID 113381553) is N-[(2-tert-butyl-6-methoxy-4-pyridinyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(2-tert-butyl-6-methoxy-4-pyridinyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(2-tert-butyl-6-methoxy-4-pyridinyl)methyl]-2-methylpropan-1-amine is COc1cc(CNCC(C)C)cc(C(C)(C)C)n1.
What is the InChIKey of N-[(2-tert-butyl-6-methoxy-4-pyridinyl)methyl]-2-methylpropan-1-amine?
The InChIKey is IHLDESGUTNSJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11(2)9-16-10-12-7-13(15(3,4)5)17-14(8-12)18-6/h7-8,11,16H,9-10H2,1-6H3.
What are the key properties of N-[(2-tert-butyl-6-methoxy-4-pyridinyl)methyl]-2-methylpropan-1-amine?
N-[(2-tert-butyl-6-methoxy-4-pyridinyl)methyl]-2-methylpropan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-6-methoxy-4-pyridinyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 113381553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).