N-(2-methylpropoxy)-1-(6-methyl-2-pyridinyl)methanamine

C11H18N2O — CID 82714626

IUPACN-(2-methylpropoxy)-1-(6-methyl-2-pyridinyl)methanamine
SMILESCc1cccc(CNOCC(C)C)n1
InChIInChI=1S/C11H18N2O/c1-9(2)8-14-12-7-11-6-4-5-10(3)13-11/h4-6,9,12H,7-8H2,1-3H3
InChIKeyBPWPBDCJMIVZGR-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.07
Rot. Bonds5

About N-(2-methylpropoxy)-1-(6-methyl-2-pyridinyl)methanamine

N-(2-methylpropoxy)-1-(6-methyl-2-pyridinyl)methanamine (PubChem CID 82714626) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-(2-methylpropoxy)-1-(6-methyl-2-pyridinyl)methanamine.

Molecular Properties

Compound NameN-(2-methylpropoxy)-1-(6-methyl-2-pyridinyl)methanamine
PubChem CID82714626
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-(2-methylpropoxy)-1-(6-methyl-2-pyridinyl)methanamine
SMILESCc1cccc(CNOCC(C)C)n1
InChIInChI=1S/C11H18N2O/c1-9(2)8-14-12-7-11-6-4-5-10(3)13-11/h4-6,9,12H,7-8H2,1-3H3
InChIKeyBPWPBDCJMIVZGR-UHFFFAOYSA-N
XLogP2.07
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901
1-N,1-N-dimethyl-2-N-[(6-methyl-2-pyridinyl)methyl]propane-1,2-diamine
CID 82939144
2-methyl-N-[(6-methyl-2-pyridinyl)methyl]-N-propan-2-ylpropan-1-amine
CID 23588532
3,3-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]butan-2-amine
CID 115710700
2-methoxy-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 112686238
2-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine
CID 79267876
2-methyl-1-(3-methylbutyl)-3-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 110977871
1-methoxy-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]pentan-3-amine
CID 75382852
1-(4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 55056902
N-[(6-methyl-2-pyridinyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 62321412
2-methyl-3-[(6-methyl-2-pyridinyl)methylamino]propanenitrile
CID 62321970
N-methyl-1-(6-methyl-2-pyridinyl)propan-2-amine
CID 16640577

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropoxy)-1-(6-methyl-2-pyridinyl)methanamine?
The IUPAC name of N-(2-methylpropoxy)-1-(6-methyl-2-pyridinyl)methanamine (CID 82714626) is N-(2-methylpropoxy)-1-(6-methyl-2-pyridinyl)methanamine.
What is the SMILES notation for N-(2-methylpropoxy)-1-(6-methyl-2-pyridinyl)methanamine?
The canonical SMILES for N-(2-methylpropoxy)-1-(6-methyl-2-pyridinyl)methanamine is Cc1cccc(CNOCC(C)C)n1.
What is the InChIKey of N-(2-methylpropoxy)-1-(6-methyl-2-pyridinyl)methanamine?
The InChIKey is BPWPBDCJMIVZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9(2)8-14-12-7-11-6-4-5-10(3)13-11/h4-6,9,12H,7-8H2,1-3H3.
What are the key properties of N-(2-methylpropoxy)-1-(6-methyl-2-pyridinyl)methanamine?
N-(2-methylpropoxy)-1-(6-methyl-2-pyridinyl)methanamine has a molecular weight of 194.28 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropoxy)-1-(6-methyl-2-pyridinyl)methanamine is sourced from PubChem (CID 82714626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).