ethane;N-methylmethanamine;3-methyl-5-(3-phenylpropoxy)pyridine;propane

C22H38N2O — CID 145472833

IUPACethane;N-methylmethanamine;3-methyl-5-(3-phenylpropoxy)pyridine;propane
SMILESCC.CCC.CNC.Cc1cncc(OCCCc2ccccc2)c1
InChIInChI=1S/C15H17NO.C3H8.C2H7N.C2H6/c1-13-10-15(12-16-11-13)17-9-5-8-14-6-3-2-4-7-14;2*1-3-2;1-2/h2-4,6-7,10-12H,5,8-9H2,1H3;3H2,1-2H3;3H,1-2H3;1-2H3
InChIKeyFFZIOWIBLMOYHH-UHFFFAOYSA-N
MW346.56 g/mol
LogP5.68
Rot. Bonds5

About ethane;N-methylmethanamine;3-methyl-5-(3-phenylpropoxy)pyridine;propane

ethane;N-methylmethanamine;3-methyl-5-(3-phenylpropoxy)pyridine;propane (PubChem CID 145472833) has the molecular formula C22H38N2O and a molecular weight of 346.56 g/mol. Its IUPAC name is ethane;N-methylmethanamine;3-methyl-5-(3-phenylpropoxy)pyridine;propane.

Molecular Properties

Compound Nameethane;N-methylmethanamine;3-methyl-5-(3-phenylpropoxy)pyridine;propane
PubChem CID145472833
Molecular FormulaC22H38N2O
Molecular Weight346.56 g/mol
Exact Mass346.30
IUPAC Nameethane;N-methylmethanamine;3-methyl-5-(3-phenylpropoxy)pyridine;propane
SMILESCC.CCC.CNC.Cc1cncc(OCCCc2ccccc2)c1
InChIInChI=1S/C15H17NO.C3H8.C2H7N.C2H6/c1-13-10-15(12-16-11-13)17-9-5-8-14-6-3-2-4-7-14;2*1-3-2;1-2/h2-4,6-7,10-12H,5,8-9H2,1H3;3H2,1-2H3;3H,1-2H3;1-2H3
InChIKeyFFZIOWIBLMOYHH-UHFFFAOYSA-N
XLogP5.68
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.56
LogP ≤ 55.68
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

5-(3-phenylpropoxy)-N-propylpyridin-3-amine
CID 104536691
1-(5-ethoxy-3-pyridinyl)-4-phenylbutan-1-amine
CID 105175469
N-[(5-methyl-3-pyridinyl)methyl]-3-phenoxypropan-1-amine
CID 102880836
1,3-difluoro-2-methyl-5-(3-phenylpropoxy)benzene
CID 59931437
1-(5-methyl-3-pyridinyl)-4-phenylbutan-1-one
CID 105093184
6-[5-[3-(4-methylphenyl)propoxy]-3-pyridinyl]isoquinoline
CID 142256049
2-(3-phenylpropoxy)naphthalene
CID 13432986
1-(5-methyl-3-pyridinyl)-6-phenylhexan-3-amine
CID 145472636
5-(3-phenylpropoxy)pyridine-2-carbaldehyde
CID 79794594
N-ethyl-5-(2-phenoxyethoxy)pyridin-3-amine
CID 104536114
3-bromo-5-(2-phenylethoxy)pyridine;tert-butyl N-methylcarbamate
CID 142256055
1-ethyl-4-(4-phenylbutoxy)benzene
CID 71034747

Frequently Asked Questions

What is the IUPAC name of ethane;N-methylmethanamine;3-methyl-5-(3-phenylpropoxy)pyridine;propane?
The IUPAC name of ethane;N-methylmethanamine;3-methyl-5-(3-phenylpropoxy)pyridine;propane (CID 145472833) is ethane;N-methylmethanamine;3-methyl-5-(3-phenylpropoxy)pyridine;propane.
What is the SMILES notation for ethane;N-methylmethanamine;3-methyl-5-(3-phenylpropoxy)pyridine;propane?
The canonical SMILES for ethane;N-methylmethanamine;3-methyl-5-(3-phenylpropoxy)pyridine;propane is CC.CCC.CNC.Cc1cncc(OCCCc2ccccc2)c1.
What is the InChIKey of ethane;N-methylmethanamine;3-methyl-5-(3-phenylpropoxy)pyridine;propane?
The InChIKey is FFZIOWIBLMOYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO.C3H8.C2H7N.C2H6/c1-13-10-15(12-16-11-13)17-9-5-8-14-6-3-2-4-7-14;2*1-3-2;1-2/h2-4,6-7,10-12H,5,8-9H2,1H3;3H2,1-2H3;3H,1-2H3;1-2H3.
What are the key properties of ethane;N-methylmethanamine;3-methyl-5-(3-phenylpropoxy)pyridine;propane?
ethane;N-methylmethanamine;3-methyl-5-(3-phenylpropoxy)pyridine;propane has a molecular weight of 346.56 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methylmethanamine;3-methyl-5-(3-phenylpropoxy)pyridine;propane is sourced from PubChem (CID 145472833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).