N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpentan-1-amine

C13H22N2O — CID 83156007

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-4-methylpentan-1-amine
SMILESCOc1ccc(CNCCCC(C)C)cn1
InChIInChI=1S/C13H22N2O/c1-11(2)5-4-8-14-9-12-6-7-13(16-3)15-10-12/h6-7,10-11,14H,4-5,8-9H2,1-3H3
InChIKeyVBBFQVCQMPMERH-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.62
Rot. Bonds7

About N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpentan-1-amine

N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpentan-1-amine (PubChem CID 83156007) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpentan-1-amine.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-4-methylpentan-1-amine
PubChem CID83156007
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-4-methylpentan-1-amine
SMILESCOc1ccc(CNCCCC(C)C)cn1
InChIInChI=1S/C13H22N2O/c1-11(2)5-4-8-14-9-12-6-7-13(16-3)15-10-12/h6-7,10-11,14H,4-5,8-9H2,1-3H3
InChIKeyVBBFQVCQMPMERH-UHFFFAOYSA-N
XLogP2.62
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.62
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]-3-methylbutan-1-amine
CID 28712170
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylsulfanylbutan-1-amine
CID 114936928
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine
CID 28712781
1-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide
CID 111943028
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine
CID 63191309
(2R)-1-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 105014317
3-(6-methoxy-3-pyridinyl)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 146273628
3-(cyclopropylmethoxy)-N-[(6-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 114936367
N-[(6-methoxy-3-pyridinyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 114936342
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
[1-(6-methoxy-3-pyridinyl)-6-methylheptan-2-yl]hydrazine
CID 105250649

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpentan-1-amine?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpentan-1-amine (CID 83156007) is N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpentan-1-amine.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpentan-1-amine?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpentan-1-amine is COc1ccc(CNCCCC(C)C)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpentan-1-amine?
The InChIKey is VBBFQVCQMPMERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11(2)5-4-8-14-9-12-6-7-13(16-3)15-10-12/h6-7,10-11,14H,4-5,8-9H2,1-3H3.
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpentan-1-amine?
N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpentan-1-amine has a molecular weight of 222.33 g/mol, XLogP of 2.62, 7 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]-4-methylpentan-1-amine is sourced from PubChem (CID 83156007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).