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

C15H22N2O — CID 113374142

IUPACN-[(6-methyl-3-pent-4-ynoxy-2-pyridinyl)methyl]propan-2-amine
SMILESC#CCCCOc1ccc(C)nc1CNC(C)C
InChIInChI=1S/C15H22N2O/c1-5-6-7-10-18-15-9-8-13(4)17-14(15)11-16-12(2)3/h1,8-9,12,16H,6-7,10-11H2,2-4H3
InChIKeyGOMKDZBZPQYRJA-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.68
Rot. Bonds7

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

N-[(6-methyl-3-pent-4-ynoxy-2-pyridinyl)methyl]propan-2-amine (PubChem CID 113374142) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[(6-methyl-3-pent-4-ynoxy-2-pyridinyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(6-methyl-3-pent-4-ynoxy-2-pyridinyl)methyl]propan-2-amine
PubChem CID113374142
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[(6-methyl-3-pent-4-ynoxy-2-pyridinyl)methyl]propan-2-amine
SMILESC#CCCCOc1ccc(C)nc1CNC(C)C
InChIInChI=1S/C15H22N2O/c1-5-6-7-10-18-15-9-8-13(4)17-14(15)11-16-12(2)3/h1,8-9,12,16H,6-7,10-11H2,2-4H3
InChIKeyGOMKDZBZPQYRJA-UHFFFAOYSA-N
XLogP2.68
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]pentanenitrile
CID 79151307
N-[[6-methyl-3-(2-phenylethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79158258
3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]propanamide
CID 79151234
methyl 3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]propanoate
CID 79151614
3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]-N-propan-2-ylpropanamide
CID 79158097
N-[(3-butan-2-yloxy-6-methyl-2-pyridinyl)methyl]propan-2-amine
CID 79150768
N-[[6-methyl-3-[(6-methyl-2-pyridinyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 79262670
N-[[6-methyl-3-(oxan-4-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79151236
N-[[6-methyl-3-(thiophen-2-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79151007
N-[[6-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 79150848
N-[[3-(3-fluoropropoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 81106538
2-methyl-8-pent-4-ynoxyquinoline
CID 75395956

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-3-pent-4-ynoxy-2-pyridinyl)methyl]propan-2-amine?
The IUPAC name of N-[(6-methyl-3-pent-4-ynoxy-2-pyridinyl)methyl]propan-2-amine (CID 113374142) is N-[(6-methyl-3-pent-4-ynoxy-2-pyridinyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(6-methyl-3-pent-4-ynoxy-2-pyridinyl)methyl]propan-2-amine?
The canonical SMILES for N-[(6-methyl-3-pent-4-ynoxy-2-pyridinyl)methyl]propan-2-amine is C#CCCCOc1ccc(C)nc1CNC(C)C.
What is the InChIKey of N-[(6-methyl-3-pent-4-ynoxy-2-pyridinyl)methyl]propan-2-amine?
The InChIKey is GOMKDZBZPQYRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-5-6-7-10-18-15-9-8-13(4)17-14(15)11-16-12(2)3/h1,8-9,12,16H,6-7,10-11H2,2-4H3.
What are the key properties of N-[(6-methyl-3-pent-4-ynoxy-2-pyridinyl)methyl]propan-2-amine?
N-[(6-methyl-3-pent-4-ynoxy-2-pyridinyl)methyl]propan-2-amine has a molecular weight of 246.35 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-3-pent-4-ynoxy-2-pyridinyl)methyl]propan-2-amine is sourced from PubChem (CID 113374142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).