2-methyl-N-[[6-(4-methylpentoxy)-3-pyridinyl]methyl]propan-2-amine

C16H28N2O — CID 62292186

IUPAC2-methyl-N-[[6-(4-methylpentoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)CCCOc1ccc(CNC(C)(C)C)cn1
InChIInChI=1S/C16H28N2O/c1-13(2)7-6-10-19-15-9-8-14(11-17-15)12-18-16(3,4)5/h8-9,11,13,18H,6-7,10,12H2,1-5H3
InChIKeyQGMALIRVDRMWKY-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.78
Rot. Bonds7

About 2-methyl-N-[[6-(4-methylpentoxy)-3-pyridinyl]methyl]propan-2-amine

2-methyl-N-[[6-(4-methylpentoxy)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 62292186) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-methyl-N-[[6-(4-methylpentoxy)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[6-(4-methylpentoxy)-3-pyridinyl]methyl]propan-2-amine
PubChem CID62292186
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-methyl-N-[[6-(4-methylpentoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)CCCOc1ccc(CNC(C)(C)C)cn1
InChIInChI=1S/C16H28N2O/c1-13(2)7-6-10-19-15-9-8-14(11-17-15)12-18-16(3,4)5/h8-9,11,13,18H,6-7,10,12H2,1-5H3
InChIKeyQGMALIRVDRMWKY-UHFFFAOYSA-N
XLogP3.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.78
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[6-(4-methylpentoxy)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[6-(4-methylpentoxy)-3-pyridinyl]methyl]propan-2-amine (CID 62292186) is 2-methyl-N-[[6-(4-methylpentoxy)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[6-(4-methylpentoxy)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[6-(4-methylpentoxy)-3-pyridinyl]methyl]propan-2-amine is CC(C)CCCOc1ccc(CNC(C)(C)C)cn1.
What is the InChIKey of 2-methyl-N-[[6-(4-methylpentoxy)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is QGMALIRVDRMWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-13(2)7-6-10-19-15-9-8-14(11-17-15)12-18-16(3,4)5/h8-9,11,13,18H,6-7,10,12H2,1-5H3.
What are the key properties of 2-methyl-N-[[6-(4-methylpentoxy)-3-pyridinyl]methyl]propan-2-amine?
2-methyl-N-[[6-(4-methylpentoxy)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 264.41 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[6-(4-methylpentoxy)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62292186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).