1-(3-methoxy-2-pyridinyl)-2,3-dimethyl-N-propylbutan-1-amine

C15H26N2O — CID 114054565

IUPAC1-(3-methoxy-2-pyridinyl)-2,3-dimethyl-N-propylbutan-1-amine
SMILESCCCNC(c1ncccc1OC)C(C)C(C)C
InChIInChI=1S/C15H26N2O/c1-6-9-16-14(12(4)11(2)3)15-13(18-5)8-7-10-17-15/h7-8,10-12,14,16H,6,9H2,1-5H3
InChIKeyQQYQHUCLGXLHSM-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.42
Rot. Bonds7

About 1-(3-methoxy-2-pyridinyl)-2,3-dimethyl-N-propylbutan-1-amine

1-(3-methoxy-2-pyridinyl)-2,3-dimethyl-N-propylbutan-1-amine (PubChem CID 114054565) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(3-methoxy-2-pyridinyl)-2,3-dimethyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(3-methoxy-2-pyridinyl)-2,3-dimethyl-N-propylbutan-1-amine
PubChem CID114054565
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-(3-methoxy-2-pyridinyl)-2,3-dimethyl-N-propylbutan-1-amine
SMILESCCCNC(c1ncccc1OC)C(C)C(C)C
InChIInChI=1S/C15H26N2O/c1-6-9-16-14(12(4)11(2)3)15-13(18-5)8-7-10-17-15/h7-8,10-12,14,16H,6,9H2,1-5H3
InChIKeyQQYQHUCLGXLHSM-UHFFFAOYSA-N
XLogP3.42
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(3-methoxy-2-pyridinyl)-2,3-dimethylbutan-1-amine
CID 114054421
1-(3-methoxy-2-pyridinyl)-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 114053900
2-(diethoxymethyl)-3-methoxypyridine
CID 121221666
1-(2,6-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 105052111
2-methoxy-1-(2-methoxyphenyl)-3-methyl-N-propylbutan-1-amine
CID 116720529
1-(1-ethyl-4-methoxypyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine
CID 105047694
(1S)-1-(3-methoxy-2-pyridinyl)-2-methylpropan-1-amine
CID 130691803
N-ethyl-1-(3-methoxypyrazin-2-yl)-2,3-dimethylbutan-1-amine
CID 105032262
1-(3-ethyl-2-pyridinyl)-2-methyl-N-propylpentan-1-amine
CID 114013829
N-[(3-chloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 103444855
N-[2,2-dimethoxy-1-(2-methoxyphenyl)ethyl]propan-1-amine
CID 79493375
1-(2,6-dimethoxyphenyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105052132

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-2-pyridinyl)-2,3-dimethyl-N-propylbutan-1-amine?
The IUPAC name of 1-(3-methoxy-2-pyridinyl)-2,3-dimethyl-N-propylbutan-1-amine (CID 114054565) is 1-(3-methoxy-2-pyridinyl)-2,3-dimethyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(3-methoxy-2-pyridinyl)-2,3-dimethyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(3-methoxy-2-pyridinyl)-2,3-dimethyl-N-propylbutan-1-amine is CCCNC(c1ncccc1OC)C(C)C(C)C.
What is the InChIKey of 1-(3-methoxy-2-pyridinyl)-2,3-dimethyl-N-propylbutan-1-amine?
The InChIKey is QQYQHUCLGXLHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-6-9-16-14(12(4)11(2)3)15-13(18-5)8-7-10-17-15/h7-8,10-12,14,16H,6,9H2,1-5H3.
What are the key properties of 1-(3-methoxy-2-pyridinyl)-2,3-dimethyl-N-propylbutan-1-amine?
1-(3-methoxy-2-pyridinyl)-2,3-dimethyl-N-propylbutan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-2-pyridinyl)-2,3-dimethyl-N-propylbutan-1-amine is sourced from PubChem (CID 114054565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).