1-[2-(2-methylpropoxy)ethoxy]-1-pyridin-3-ylbutan-2-amine

C15H26N2O2 — CID 106446893

IUPAC1-[2-(2-methylpropoxy)ethoxy]-1-pyridin-3-ylbutan-2-amine
SMILESCCC(N)C(OCCOCC(C)C)c1cccnc1
InChIInChI=1S/C15H26N2O2/c1-4-14(16)15(13-6-5-7-17-10-13)19-9-8-18-11-12(2)3/h5-7,10,12,14-15H,4,8-9,11,16H2,1-3H3
InChIKeyOOFLLZUKRACBCP-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.55
Rot. Bonds9

About 1-[2-(2-methylpropoxy)ethoxy]-1-pyridin-3-ylbutan-2-amine

1-[2-(2-methylpropoxy)ethoxy]-1-pyridin-3-ylbutan-2-amine (PubChem CID 106446893) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-[2-(2-methylpropoxy)ethoxy]-1-pyridin-3-ylbutan-2-amine.

Molecular Properties

Compound Name1-[2-(2-methylpropoxy)ethoxy]-1-pyridin-3-ylbutan-2-amine
PubChem CID106446893
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-[2-(2-methylpropoxy)ethoxy]-1-pyridin-3-ylbutan-2-amine
SMILESCCC(N)C(OCCOCC(C)C)c1cccnc1
InChIInChI=1S/C15H26N2O2/c1-4-14(16)15(13-6-5-7-17-10-13)19-9-8-18-11-12(2)3/h5-7,10,12,14-15H,4,8-9,11,16H2,1-3H3
InChIKeyOOFLLZUKRACBCP-UHFFFAOYSA-N
XLogP2.55
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-methylpropoxy)ethoxy]-2-pyridin-3-ylethanamine
CID 106446864
1-[2-(3-methoxypropoxy)ethoxy]-1-pyridin-3-ylpropan-2-amine
CID 103176909
(1S)-2-methyl-1-pyridin-3-ylbutan-1-amine
CID 130856661
1-(3,3-dimethylbutoxy)-1-pyridin-3-ylpropan-2-amine
CID 66233116
1-(4-bromophenyl)-1-(2-methylpropoxy)butan-2-amine
CID 55015797
1-[(2-amino-1-pyridin-3-ylbutyl)-methylamino]propan-2-ol
CID 55061112
1-pentan-2-yloxy-1-pyridin-3-ylpropan-2-amine
CID 102980637
(1R)-1-pyridin-3-ylethanamine;hydrochloride
CID 53487230
2-methoxy-1-pyridin-3-ylbutan-1-amine
CID 116715099
1-(3-fluorophenyl)-1-(3-methylbutoxy)butan-2-amine
CID 55020209
methyl 4-amino-3-pyridin-3-ylhexanoate
CID 66097725
1-(3-fluorophenyl)-1-(2-propoxyethoxy)butan-2-amine
CID 63686342

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpropoxy)ethoxy]-1-pyridin-3-ylbutan-2-amine?
The IUPAC name of 1-[2-(2-methylpropoxy)ethoxy]-1-pyridin-3-ylbutan-2-amine (CID 106446893) is 1-[2-(2-methylpropoxy)ethoxy]-1-pyridin-3-ylbutan-2-amine.
What is the SMILES notation for 1-[2-(2-methylpropoxy)ethoxy]-1-pyridin-3-ylbutan-2-amine?
The canonical SMILES for 1-[2-(2-methylpropoxy)ethoxy]-1-pyridin-3-ylbutan-2-amine is CCC(N)C(OCCOCC(C)C)c1cccnc1.
What is the InChIKey of 1-[2-(2-methylpropoxy)ethoxy]-1-pyridin-3-ylbutan-2-amine?
The InChIKey is OOFLLZUKRACBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-4-14(16)15(13-6-5-7-17-10-13)19-9-8-18-11-12(2)3/h5-7,10,12,14-15H,4,8-9,11,16H2,1-3H3.
What are the key properties of 1-[2-(2-methylpropoxy)ethoxy]-1-pyridin-3-ylbutan-2-amine?
1-[2-(2-methylpropoxy)ethoxy]-1-pyridin-3-ylbutan-2-amine has a molecular weight of 266.38 g/mol, XLogP of 2.55, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpropoxy)ethoxy]-1-pyridin-3-ylbutan-2-amine is sourced from PubChem (CID 106446893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).