N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-1-amine

C12H20N2O — CID 28712170

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-1-amine
SMILESCOc1ccc(CNCCC(C)C)cn1
InChIInChI=1S/C12H20N2O/c1-10(2)6-7-13-8-11-4-5-12(15-3)14-9-11/h4-5,9-10,13H,6-8H2,1-3H3
InChIKeyBHLKCRMWLLFRDR-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.23
Rot. Bonds6

About N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-1-amine

N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-1-amine (PubChem CID 28712170) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-1-amine
PubChem CID28712170
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-1-amine
SMILESCOc1ccc(CNCCC(C)C)cn1
InChIInChI=1S/C12H20N2O/c1-10(2)6-7-13-8-11-4-5-12(15-3)14-9-11/h4-5,9-10,13H,6-8H2,1-3H3
InChIKeyBHLKCRMWLLFRDR-UHFFFAOYSA-N
XLogP2.23
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.23
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

N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpentan-1-amine
CID 83156007
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylsulfanylbutan-1-amine
CID 114936928
(2R)-1-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 105014317
2,2-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 62989233
1-N-[(6-methoxy-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 114936683
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine
CID 28712781
3-methoxy-4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide
CID 142891069
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine
CID 63191309
2-cyclopentyloxy-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 114936757
4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide
CID 59730124
N'-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]-2-methylpropanimidamide
CID 77032726
1-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide
CID 111943028

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-1-amine?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-1-amine (CID 28712170) is N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-1-amine.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-1-amine?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-1-amine is COc1ccc(CNCCC(C)C)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-1-amine?
The InChIKey is BHLKCRMWLLFRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10(2)6-7-13-8-11-4-5-12(15-3)14-9-11/h4-5,9-10,13H,6-8H2,1-3H3.
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-1-amine?
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-1-amine has a molecular weight of 208.31 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-1-amine is sourced from PubChem (CID 28712170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).