1-(2-methoxy-3-pyridinyl)-N-(2-methylpropoxy)methanamine

C11H18N2O2 — CID 82714723

IUPAC1-(2-methoxy-3-pyridinyl)-N-(2-methylpropoxy)methanamine
SMILESCOc1ncccc1CNOCC(C)C
InChIInChI=1S/C11H18N2O2/c1-9(2)8-15-13-7-10-5-4-6-12-11(10)14-3/h4-6,9,13H,7-8H2,1-3H3
InChIKeyVZCDEVCCINDGOA-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.77
Rot. Bonds6

About 1-(2-methoxy-3-pyridinyl)-N-(2-methylpropoxy)methanamine

1-(2-methoxy-3-pyridinyl)-N-(2-methylpropoxy)methanamine (PubChem CID 82714723) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(2-methoxy-3-pyridinyl)-N-(2-methylpropoxy)methanamine.

Molecular Properties

Compound Name1-(2-methoxy-3-pyridinyl)-N-(2-methylpropoxy)methanamine
PubChem CID82714723
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-(2-methoxy-3-pyridinyl)-N-(2-methylpropoxy)methanamine
SMILESCOc1ncccc1CNOCC(C)C
InChIInChI=1S/C11H18N2O2/c1-9(2)8-15-13-7-10-5-4-6-12-11(10)14-3/h4-6,9,13H,7-8H2,1-3H3
InChIKeyVZCDEVCCINDGOA-UHFFFAOYSA-N
XLogP1.77
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 93316993
1-(2-methoxy-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82724314
N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 60860137
2-N-[(2-methoxy-3-pyridinyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82939229
(2S)-1-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 106931879
1-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111401690
1-[(2-methoxy-3-pyridinyl)methyl]-3-(3-methylbutyl)urea
CID 47164188
N-[[2-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62289954
N-[(2-methoxy-3-pyridinyl)methyl]cyclopropanamine
CID 62292464
(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylbutan-1-amine
CID 93316989
(1S)-N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-4-ylethanamine
CID 81409770
N-[(2-methoxy-3-pyridinyl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64850984

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3-pyridinyl)-N-(2-methylpropoxy)methanamine?
The IUPAC name of 1-(2-methoxy-3-pyridinyl)-N-(2-methylpropoxy)methanamine (CID 82714723) is 1-(2-methoxy-3-pyridinyl)-N-(2-methylpropoxy)methanamine.
What is the SMILES notation for 1-(2-methoxy-3-pyridinyl)-N-(2-methylpropoxy)methanamine?
The canonical SMILES for 1-(2-methoxy-3-pyridinyl)-N-(2-methylpropoxy)methanamine is COc1ncccc1CNOCC(C)C.
What is the InChIKey of 1-(2-methoxy-3-pyridinyl)-N-(2-methylpropoxy)methanamine?
The InChIKey is VZCDEVCCINDGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-9(2)8-15-13-7-10-5-4-6-12-11(10)14-3/h4-6,9,13H,7-8H2,1-3H3.
What are the key properties of 1-(2-methoxy-3-pyridinyl)-N-(2-methylpropoxy)methanamine?
1-(2-methoxy-3-pyridinyl)-N-(2-methylpropoxy)methanamine has a molecular weight of 210.28 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3-pyridinyl)-N-(2-methylpropoxy)methanamine is sourced from PubChem (CID 82714723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).