3-[cyclobutyl-[(3,4-dimethoxy-2-pyridinyl)methyl]amino]propan-1-ol

C15H24N2O3 — CID 103173852

IUPAC3-[cyclobutyl-[(3,4-dimethoxy-2-pyridinyl)methyl]amino]propan-1-ol
SMILESCOc1ccnc(CN(CCCO)C2CCC2)c1OC
InChIInChI=1S/C15H24N2O3/c1-19-14-7-8-16-13(15(14)20-2)11-17(9-4-10-18)12-5-3-6-12/h7-8,12,18H,3-6,9-11H2,1-2H3
InChIKeyJHXSGGAMNGRSFT-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.84
Rot. Bonds8

About 3-[cyclobutyl-[(3,4-dimethoxy-2-pyridinyl)methyl]amino]propan-1-ol

3-[cyclobutyl-[(3,4-dimethoxy-2-pyridinyl)methyl]amino]propan-1-ol (PubChem CID 103173852) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-[cyclobutyl-[(3,4-dimethoxy-2-pyridinyl)methyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[cyclobutyl-[(3,4-dimethoxy-2-pyridinyl)methyl]amino]propan-1-ol
PubChem CID103173852
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-[cyclobutyl-[(3,4-dimethoxy-2-pyridinyl)methyl]amino]propan-1-ol
SMILESCOc1ccnc(CN(CCCO)C2CCC2)c1OC
InChIInChI=1S/C15H24N2O3/c1-19-14-7-8-16-13(15(14)20-2)11-17(9-4-10-18)12-5-3-6-12/h7-8,12,18H,3-6,9-11H2,1-2H3
InChIKeyJHXSGGAMNGRSFT-UHFFFAOYSA-N
XLogP1.84
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Caerulomycin C
CID 135503530
Dimethyl-[2-(6-methyl-pyridin-3-yloxy)-ethyl]-amine
CID 44340957
2-Chloromethyl-3,4-dimethoxypyridinium chloride
CID 16216928
2-(((2-Hydroxyethyl)(methyl)amino)methyl)-3-pyridinol
CID 258769
(2R)-N,N-dimethyl-4-pyridin-3-yloxybutan-2-amine
CID 71717325
1-[5-[2-(Dimethylamino)ethoxy]-3-pyridinyl]piperidin-4-ol
CID 122182217
4-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 122185347
Caerulomycin G
CID 53493586
3-Methoxy-2-methylpyridine
CID 3015270
3-Hydroxy-4-methoxypyridine
CID 11094609
(3-Methoxypyridin-2-yl)methanamine
CID 45079526
(6R)-4-cyclobutyl-6-pyridin-3-yloxy-1,4-oxazepane
CID 75367739

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutyl-[(3,4-dimethoxy-2-pyridinyl)methyl]amino]propan-1-ol?
The IUPAC name of 3-[cyclobutyl-[(3,4-dimethoxy-2-pyridinyl)methyl]amino]propan-1-ol (CID 103173852) is 3-[cyclobutyl-[(3,4-dimethoxy-2-pyridinyl)methyl]amino]propan-1-ol.
What is the SMILES notation for 3-[cyclobutyl-[(3,4-dimethoxy-2-pyridinyl)methyl]amino]propan-1-ol?
The canonical SMILES for 3-[cyclobutyl-[(3,4-dimethoxy-2-pyridinyl)methyl]amino]propan-1-ol is COc1ccnc(CN(CCCO)C2CCC2)c1OC.
What is the InChIKey of 3-[cyclobutyl-[(3,4-dimethoxy-2-pyridinyl)methyl]amino]propan-1-ol?
The InChIKey is JHXSGGAMNGRSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-19-14-7-8-16-13(15(14)20-2)11-17(9-4-10-18)12-5-3-6-12/h7-8,12,18H,3-6,9-11H2,1-2H3.
What are the key properties of 3-[cyclobutyl-[(3,4-dimethoxy-2-pyridinyl)methyl]amino]propan-1-ol?
3-[cyclobutyl-[(3,4-dimethoxy-2-pyridinyl)methyl]amino]propan-1-ol has a molecular weight of 280.37 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl-[(3,4-dimethoxy-2-pyridinyl)methyl]amino]propan-1-ol is sourced from PubChem (CID 103173852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).