1-(5-ethyl-2-pyridinyl)-5-methoxy-4-methyl-N-propylpentan-2-amine

C17H30N2O — CID 105168927

IUPAC1-(5-ethyl-2-pyridinyl)-5-methoxy-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccc(CC)cn1)CC(C)COC
InChIInChI=1S/C17H30N2O/c1-5-9-18-17(10-14(3)13-20-4)11-16-8-7-15(6-2)12-19-16/h7-8,12,14,17-18H,5-6,9-11,13H2,1-4H3
InChIKeyBNUBMBVVPQNXBH-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.23
Rot. Bonds10

About 1-(5-ethyl-2-pyridinyl)-5-methoxy-4-methyl-N-propylpentan-2-amine

1-(5-ethyl-2-pyridinyl)-5-methoxy-4-methyl-N-propylpentan-2-amine (PubChem CID 105168927) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(5-ethyl-2-pyridinyl)-5-methoxy-4-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(5-ethyl-2-pyridinyl)-5-methoxy-4-methyl-N-propylpentan-2-amine
PubChem CID105168927
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-(5-ethyl-2-pyridinyl)-5-methoxy-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccc(CC)cn1)CC(C)COC
InChIInChI=1S/C17H30N2O/c1-5-9-18-17(10-14(3)13-20-4)11-16-8-7-15(6-2)12-19-16/h7-8,12,14,17-18H,5-6,9-11,13H2,1-4H3
InChIKeyBNUBMBVVPQNXBH-UHFFFAOYSA-N
XLogP3.23
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-ethyl-2-pyridinyl)-3-propan-2-yloxy-N-propylpropan-2-amine
CID 105169027
1-(5-ethyl-2-pyridinyl)-4,5,5-trimethyl-N-propylhexan-2-amine
CID 105014705
1-(5-ethyl-2-pyridinyl)-N-propylhexan-2-amine
CID 79747783
N-ethyl-1-(5-ethyl-2-pyridinyl)-4-methylpentan-2-amine
CID 79748669
1-(5-ethyl-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-2-amine
CID 79954795
N-ethyl-1-(5-ethyl-2-pyridinyl)-5-methoxypentan-2-amine
CID 79748225
[1-(5-ethyl-2-pyridinyl)-3-propoxypropan-2-yl]hydrazine
CID 105209932
N-[2-(5-ethyl-2-pyridinyl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 79732889
N-[2-(5-ethyl-2-pyridinyl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 79748221
N-ethyl-1-(5-ethyl-2-pyridinyl)-5-methoxyhexan-2-amine
CID 105168893
N-ethyl-1-(5-ethyl-2-pyridinyl)-4-propoxybutan-2-amine
CID 105168889
1-methoxy-N-propyl-3-pyrimidin-4-ylpropan-2-amine
CID 63197559

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-pyridinyl)-5-methoxy-4-methyl-N-propylpentan-2-amine?
The IUPAC name of 1-(5-ethyl-2-pyridinyl)-5-methoxy-4-methyl-N-propylpentan-2-amine (CID 105168927) is 1-(5-ethyl-2-pyridinyl)-5-methoxy-4-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(5-ethyl-2-pyridinyl)-5-methoxy-4-methyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(5-ethyl-2-pyridinyl)-5-methoxy-4-methyl-N-propylpentan-2-amine is CCCNC(Cc1ccc(CC)cn1)CC(C)COC.
What is the InChIKey of 1-(5-ethyl-2-pyridinyl)-5-methoxy-4-methyl-N-propylpentan-2-amine?
The InChIKey is BNUBMBVVPQNXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-9-18-17(10-14(3)13-20-4)11-16-8-7-15(6-2)12-19-16/h7-8,12,14,17-18H,5-6,9-11,13H2,1-4H3.
What are the key properties of 1-(5-ethyl-2-pyridinyl)-5-methoxy-4-methyl-N-propylpentan-2-amine?
1-(5-ethyl-2-pyridinyl)-5-methoxy-4-methyl-N-propylpentan-2-amine has a molecular weight of 278.44 g/mol, XLogP of 3.23, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-pyridinyl)-5-methoxy-4-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 105168927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).