1-(5-methoxy-3-pyridinyl)-3,4,4-trimethyl-N-propylpentan-1-amine

C17H30N2O — CID 105026112

IUPAC1-(5-methoxy-3-pyridinyl)-3,4,4-trimethyl-N-propylpentan-1-amine
SMILESCCCNC(CC(C)C(C)(C)C)c1cncc(OC)c1
InChIInChI=1S/C17H30N2O/c1-7-8-19-16(9-13(2)17(3,4)5)14-10-15(20-6)12-18-11-14/h10-13,16,19H,7-9H2,1-6H3
InChIKeyIWSJWEQAXNHDLM-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.20
Rot. Bonds7

About 1-(5-methoxy-3-pyridinyl)-3,4,4-trimethyl-N-propylpentan-1-amine

1-(5-methoxy-3-pyridinyl)-3,4,4-trimethyl-N-propylpentan-1-amine (PubChem CID 105026112) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(5-methoxy-3-pyridinyl)-3,4,4-trimethyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(5-methoxy-3-pyridinyl)-3,4,4-trimethyl-N-propylpentan-1-amine
PubChem CID105026112
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-(5-methoxy-3-pyridinyl)-3,4,4-trimethyl-N-propylpentan-1-amine
SMILESCCCNC(CC(C)C(C)(C)C)c1cncc(OC)c1
InChIInChI=1S/C17H30N2O/c1-7-8-19-16(9-13(2)17(3,4)5)14-10-15(20-6)12-18-11-14/h10-13,16,19H,7-9H2,1-6H3
InChIKeyIWSJWEQAXNHDLM-UHFFFAOYSA-N
XLogP4.20
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-methoxy-3-pyridinyl)-3,4,4-trimethyl-N-propylpentan-1-amine with MolForge

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Related Compounds

N-[1-(5-methoxy-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
CID 105175348
1-(5-methoxy-3-pyridinyl)-N-propylhexan-1-amine
CID 105026088
1-(5-methoxy-3-pyridinyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 105026226
3-cyclopentyl-1-(5-methoxy-3-pyridinyl)-N-propylpropan-1-amine
CID 105025931
2-ethoxy-1-(5-methoxy-3-pyridinyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 116726056
1-(5-methoxy-3-pyridinyl)-N-propyl-3-pyridin-4-ylpropan-1-amine
CID 105175318
2-ethoxy-1-(5-methoxy-3-pyridinyl)-3-methyl-N-propylbutan-1-amine
CID 116721748
1-(4-methoxy-2-methylphenyl)-3,4,4-trimethyl-N-propylpentan-1-amine
CID 63832189
N-[(1-ethylcyclopentyl)-(5-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 105026181
1-(5-fluoro-3-pyridinyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105102311
N-[(5-methoxy-3-pyridinyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 105025942
N-[2-methylsulfonyl-1-(5-propan-2-yloxy-3-pyridinyl)ethyl]propan-1-amine
CID 105027295

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-3-pyridinyl)-3,4,4-trimethyl-N-propylpentan-1-amine?
The IUPAC name of 1-(5-methoxy-3-pyridinyl)-3,4,4-trimethyl-N-propylpentan-1-amine (CID 105026112) is 1-(5-methoxy-3-pyridinyl)-3,4,4-trimethyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(5-methoxy-3-pyridinyl)-3,4,4-trimethyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(5-methoxy-3-pyridinyl)-3,4,4-trimethyl-N-propylpentan-1-amine is CCCNC(CC(C)C(C)(C)C)c1cncc(OC)c1.
What is the InChIKey of 1-(5-methoxy-3-pyridinyl)-3,4,4-trimethyl-N-propylpentan-1-amine?
The InChIKey is IWSJWEQAXNHDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-7-8-19-16(9-13(2)17(3,4)5)14-10-15(20-6)12-18-11-14/h10-13,16,19H,7-9H2,1-6H3.
What are the key properties of 1-(5-methoxy-3-pyridinyl)-3,4,4-trimethyl-N-propylpentan-1-amine?
1-(5-methoxy-3-pyridinyl)-3,4,4-trimethyl-N-propylpentan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-3-pyridinyl)-3,4,4-trimethyl-N-propylpentan-1-amine is sourced from PubChem (CID 105026112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).