3-cyclopropyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylbutan-2-amine

C16H26N2O — CID 115844027

IUPAC3-cyclopropyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylbutan-2-amine
SMILESCNC(Cc1ncc(C)c(OC)c1C)C(C)C1CC1
InChIInChI=1S/C16H26N2O/c1-10-9-18-15(12(3)16(10)19-5)8-14(17-4)11(2)13-6-7-13/h9,11,13-14,17H,6-8H2,1-5H3
InChIKeyJKEOACXUPMLSPN-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.88
Rot. Bonds6

About 3-cyclopropyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylbutan-2-amine

3-cyclopropyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylbutan-2-amine (PubChem CID 115844027) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-cyclopropyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name3-cyclopropyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylbutan-2-amine
PubChem CID115844027
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-cyclopropyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylbutan-2-amine
SMILESCNC(Cc1ncc(C)c(OC)c1C)C(C)C1CC1
InChIInChI=1S/C16H26N2O/c1-10-9-18-15(12(3)16(10)19-5)8-14(17-4)11(2)13-6-7-13/h9,11,13-14,17H,6-8H2,1-5H3
InChIKeyJKEOACXUPMLSPN-UHFFFAOYSA-N
XLogP2.88
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine
CID 62600019
1-cyclopropyl-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propane-1,2-diol
CID 103457017
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65131604
1-cyclopentyl-N-ethyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 62601412
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-1-(oxolan-2-yl)ethanamine
CID 65328801
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-1-(thiolan-2-yl)ethanamine
CID 80622026
1-cyclohexyl-N-ethyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 62601994
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylcyclopentyl)ethanol
CID 65401765
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-1-pyridin-4-ylethanamine
CID 62601677
1-(4,4-difluorocyclohexyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 105136919
[2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(thiolan-3-yl)ethyl]hydrazine
CID 105297202
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N,3,3-trimethylpentan-2-amine
CID 115843940

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylbutan-2-amine?
The IUPAC name of 3-cyclopropyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylbutan-2-amine (CID 115844027) is 3-cyclopropyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylbutan-2-amine.
What is the SMILES notation for 3-cyclopropyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylbutan-2-amine?
The canonical SMILES for 3-cyclopropyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylbutan-2-amine is CNC(Cc1ncc(C)c(OC)c1C)C(C)C1CC1.
What is the InChIKey of 3-cyclopropyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylbutan-2-amine?
The InChIKey is JKEOACXUPMLSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-10-9-18-15(12(3)16(10)19-5)8-14(17-4)11(2)13-6-7-13/h9,11,13-14,17H,6-8H2,1-5H3.
What are the key properties of 3-cyclopropyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylbutan-2-amine?
3-cyclopropyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylbutan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylbutan-2-amine is sourced from PubChem (CID 115844027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).