2-methoxy-3-methyl-1-(5-propan-2-yloxy-3-pyridinyl)-N-propylbutan-1-amine

C17H30N2O2 — CID 116720620

IUPAC2-methoxy-3-methyl-1-(5-propan-2-yloxy-3-pyridinyl)-N-propylbutan-1-amine
SMILESCCCNC(c1cncc(OC(C)C)c1)C(OC)C(C)C
InChIInChI=1S/C17H30N2O2/c1-7-8-19-16(17(20-6)12(2)3)14-9-15(11-18-10-14)21-13(4)5/h9-13,16-17,19H,7-8H2,1-6H3
InChIKeyMHMCALWGPAPPLW-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.58
Rot. Bonds9

About 2-methoxy-3-methyl-1-(5-propan-2-yloxy-3-pyridinyl)-N-propylbutan-1-amine

2-methoxy-3-methyl-1-(5-propan-2-yloxy-3-pyridinyl)-N-propylbutan-1-amine (PubChem CID 116720620) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-methoxy-3-methyl-1-(5-propan-2-yloxy-3-pyridinyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-methoxy-3-methyl-1-(5-propan-2-yloxy-3-pyridinyl)-N-propylbutan-1-amine
PubChem CID116720620
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name2-methoxy-3-methyl-1-(5-propan-2-yloxy-3-pyridinyl)-N-propylbutan-1-amine
SMILESCCCNC(c1cncc(OC(C)C)c1)C(OC)C(C)C
InChIInChI=1S/C17H30N2O2/c1-7-8-19-16(17(20-6)12(2)3)14-9-15(11-18-10-14)21-13(4)5/h9-13,16-17,19H,7-8H2,1-6H3
InChIKeyMHMCALWGPAPPLW-UHFFFAOYSA-N
XLogP3.58
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-3-methyl-1-(5-propan-2-yloxy-3-pyridinyl)-N-propylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxy-1-(5-methoxy-3-pyridinyl)-3-methyl-N-propylbutan-1-amine
CID 116721748
2-methoxy-1-(3-methoxyphenyl)-3-methyl-N-propylbutan-1-amine
CID 116720561
N-[2-methylsulfonyl-1-(5-propan-2-yloxy-3-pyridinyl)ethyl]propan-1-amine
CID 105027295
N-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 116714896
2-methoxy-3-methyl-N-propyl-1-quinolin-3-ylbutan-1-amine
CID 116720466
N-[(2-chlorofuran-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 106692900
[2,2-dimethoxy-1-(5-propan-2-yloxy-3-pyridinyl)ethyl]hydrazine
CID 105246133
1-(3,4-dimethylphenyl)-2-methoxy-3-methyl-N-propylbutan-1-amine
CID 116720687
2-methoxy-3-methyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 116720667
2-ethoxy-N-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)pentan-1-amine
CID 116718083
2-ethoxy-1-(5-methoxy-3-pyridinyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 116726056
N-[(2-methyl-1,3-thiazol-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 105176097

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-methyl-1-(5-propan-2-yloxy-3-pyridinyl)-N-propylbutan-1-amine?
The IUPAC name of 2-methoxy-3-methyl-1-(5-propan-2-yloxy-3-pyridinyl)-N-propylbutan-1-amine (CID 116720620) is 2-methoxy-3-methyl-1-(5-propan-2-yloxy-3-pyridinyl)-N-propylbutan-1-amine.
What is the SMILES notation for 2-methoxy-3-methyl-1-(5-propan-2-yloxy-3-pyridinyl)-N-propylbutan-1-amine?
The canonical SMILES for 2-methoxy-3-methyl-1-(5-propan-2-yloxy-3-pyridinyl)-N-propylbutan-1-amine is CCCNC(c1cncc(OC(C)C)c1)C(OC)C(C)C.
What is the InChIKey of 2-methoxy-3-methyl-1-(5-propan-2-yloxy-3-pyridinyl)-N-propylbutan-1-amine?
The InChIKey is MHMCALWGPAPPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-7-8-19-16(17(20-6)12(2)3)14-9-15(11-18-10-14)21-13(4)5/h9-13,16-17,19H,7-8H2,1-6H3.
What are the key properties of 2-methoxy-3-methyl-1-(5-propan-2-yloxy-3-pyridinyl)-N-propylbutan-1-amine?
2-methoxy-3-methyl-1-(5-propan-2-yloxy-3-pyridinyl)-N-propylbutan-1-amine has a molecular weight of 294.44 g/mol, XLogP of 3.58, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methyl-1-(5-propan-2-yloxy-3-pyridinyl)-N-propylbutan-1-amine is sourced from PubChem (CID 116720620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).