3-butoxy-N-methyl-1-pyridin-4-ylpropan-1-amine

C13H22N2O — CID 115001497

IUPAC3-butoxy-N-methyl-1-pyridin-4-ylpropan-1-amine
SMILESCCCCOCCC(NC)c1ccncc1
InChIInChI=1S/C13H22N2O/c1-3-4-10-16-11-7-13(14-2)12-5-8-15-9-6-12/h5-6,8-9,13-14H,3-4,7,10-11H2,1-2H3
InChIKeyCFDIZGSWYITYEQ-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.55
Rot. Bonds8

About 3-butoxy-N-methyl-1-pyridin-4-ylpropan-1-amine

3-butoxy-N-methyl-1-pyridin-4-ylpropan-1-amine (PubChem CID 115001497) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-butoxy-N-methyl-1-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name3-butoxy-N-methyl-1-pyridin-4-ylpropan-1-amine
PubChem CID115001497
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-butoxy-N-methyl-1-pyridin-4-ylpropan-1-amine
SMILESCCCCOCCC(NC)c1ccncc1
InChIInChI=1S/C13H22N2O/c1-3-4-10-16-11-7-13(14-2)12-5-8-15-9-6-12/h5-6,8-9,13-14H,3-4,7,10-11H2,1-2H3
InChIKeyCFDIZGSWYITYEQ-UHFFFAOYSA-N
XLogP2.55
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-pyridin-4-yldecan-1-amine
CID 62600532
3-butoxy-N-methyl-1-pyrimidin-2-ylpropan-1-amine
CID 115001546
N-methyl-1-phenyl-4-propoxybutan-1-amine
CID 79570537
N,4-dimethyl-1-pyridin-4-ylpentan-1-amine
CID 62600732
3-butoxy-N-ethyl-1-phenylpropan-1-amine
CID 115002192
N-methyl-1-(4-propoxyphenyl)-3-pyridin-4-ylpropan-1-amine
CID 105144167
1-(3-fluoro-4-pyridinyl)-N-methyl-3-propoxypropan-1-amine
CID 105181877
N-methyl-1-(4-propan-2-yloxyphenyl)hexan-1-amine
CID 43485534
N-methyl-4-methylsulfonyl-1-pyridin-4-ylbutan-1-amine
CID 63192032
1-(4-ethoxyphenyl)-3-(2-methoxyethoxy)-N-methylpropan-1-amine
CID 102928029
2-chloro-N-methyl-1-pyridin-4-ylethanamine
CID 116952687
1-(4-ethoxyphenyl)-N-methylpentan-1-amine
CID 43481859

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-methyl-1-pyridin-4-ylpropan-1-amine?
The IUPAC name of 3-butoxy-N-methyl-1-pyridin-4-ylpropan-1-amine (CID 115001497) is 3-butoxy-N-methyl-1-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for 3-butoxy-N-methyl-1-pyridin-4-ylpropan-1-amine?
The canonical SMILES for 3-butoxy-N-methyl-1-pyridin-4-ylpropan-1-amine is CCCCOCCC(NC)c1ccncc1.
What is the InChIKey of 3-butoxy-N-methyl-1-pyridin-4-ylpropan-1-amine?
The InChIKey is CFDIZGSWYITYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-4-10-16-11-7-13(14-2)12-5-8-15-9-6-12/h5-6,8-9,13-14H,3-4,7,10-11H2,1-2H3.
What are the key properties of 3-butoxy-N-methyl-1-pyridin-4-ylpropan-1-amine?
3-butoxy-N-methyl-1-pyridin-4-ylpropan-1-amine has a molecular weight of 222.33 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-methyl-1-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 115001497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).