N-[[2-(cyclopropylmethoxy)-6-ethyl-4-pyridinyl]methyl]propan-1-amine

C15H24N2O — CID 113381597

IUPACN-[[2-(cyclopropylmethoxy)-6-ethyl-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cc(CC)nc(OCC2CC2)c1
InChIInChI=1S/C15H24N2O/c1-3-7-16-10-13-8-14(4-2)17-15(9-13)18-11-12-5-6-12/h8-9,12,16H,3-7,10-11H2,1-2H3
InChIKeyVQVPJRUSNKZVEV-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.93
Rot. Bonds8

About N-[[2-(cyclopropylmethoxy)-6-ethyl-4-pyridinyl]methyl]propan-1-amine

N-[[2-(cyclopropylmethoxy)-6-ethyl-4-pyridinyl]methyl]propan-1-amine (PubChem CID 113381597) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[[2-(cyclopropylmethoxy)-6-ethyl-4-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(cyclopropylmethoxy)-6-ethyl-4-pyridinyl]methyl]propan-1-amine
PubChem CID113381597
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[[2-(cyclopropylmethoxy)-6-ethyl-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cc(CC)nc(OCC2CC2)c1
InChIInChI=1S/C15H24N2O/c1-3-7-16-10-13-8-14(4-2)17-15(9-13)18-11-12-5-6-12/h8-9,12,16H,3-7,10-11H2,1-2H3
InChIKeyVQVPJRUSNKZVEV-UHFFFAOYSA-N
XLogP2.93
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.93
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-[[2-(2-cyclopropylethoxy)-6-ethyl-4-pyridinyl]methyl]ethanamine
CID 114157939
N-[[2-(2-cyclopropylethoxy)-6-ethyl-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106205411
N-[[4-(cyclopropylmethoxymethoxy)-3,5-dimethylphenyl]methyl]propan-1-amine
CID 106929103
N-[2-[[6-ethyl-4-(ethylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine
CID 102740671
N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-6-ethyl-2-methylpyrimidin-4-amine
CID 133460609
N-[[4-(cyclopropylmethoxy)-3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 63320061
N-[[3-chloro-6-(cyclohexylmethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 63489698
N-[[4-(cyclobutylmethoxy)-3-ethoxyphenyl]methyl]propan-1-amine
CID 65457532
2-(cyclopropylmethoxy)-5-ethylpyrazine
CID 177013982
1-[2-(cyclohexylmethoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine
CID 113379534
N-cyclopropyl-6-propyl-4-(propylaminomethyl)pyridin-2-amine
CID 113381475
N-[[2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]methyl]ethanamine
CID 104566462

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclopropylmethoxy)-6-ethyl-4-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(cyclopropylmethoxy)-6-ethyl-4-pyridinyl]methyl]propan-1-amine (CID 113381597) is N-[[2-(cyclopropylmethoxy)-6-ethyl-4-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(cyclopropylmethoxy)-6-ethyl-4-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(cyclopropylmethoxy)-6-ethyl-4-pyridinyl]methyl]propan-1-amine is CCCNCc1cc(CC)nc(OCC2CC2)c1.
What is the InChIKey of N-[[2-(cyclopropylmethoxy)-6-ethyl-4-pyridinyl]methyl]propan-1-amine?
The InChIKey is VQVPJRUSNKZVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-7-16-10-13-8-14(4-2)17-15(9-13)18-11-12-5-6-12/h8-9,12,16H,3-7,10-11H2,1-2H3.
What are the key properties of N-[[2-(cyclopropylmethoxy)-6-ethyl-4-pyridinyl]methyl]propan-1-amine?
N-[[2-(cyclopropylmethoxy)-6-ethyl-4-pyridinyl]methyl]propan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclopropylmethoxy)-6-ethyl-4-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 113381597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).