N-methyl-4-pyridin-4-yloxybutan-1-amine

C10H16N2O — CID 174683460

IUPACN-methyl-4-pyridin-4-yloxybutan-1-amine
SMILESCNCCCCOc1ccncc1
InChIInChI=1S/C10H16N2O/c1-11-6-2-3-9-13-10-4-7-12-8-5-10/h4-5,7-8,11H,2-3,6,9H2,1H3
InChIKeyOSHWCIXFWJYNQU-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.46
Rot. Bonds6

About N-methyl-4-pyridin-4-yloxybutan-1-amine

N-methyl-4-pyridin-4-yloxybutan-1-amine (PubChem CID 174683460) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-methyl-4-pyridin-4-yloxybutan-1-amine.

Molecular Properties

Compound NameN-methyl-4-pyridin-4-yloxybutan-1-amine
PubChem CID174683460
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-methyl-4-pyridin-4-yloxybutan-1-amine
SMILESCNCCCCOc1ccncc1
InChIInChI=1S/C10H16N2O/c1-11-6-2-3-9-13-10-4-7-12-8-5-10/h4-5,7-8,11H,2-3,6,9H2,1H3
InChIKeyOSHWCIXFWJYNQU-UHFFFAOYSA-N
XLogP1.46
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.46
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

5-(4-methoxyphenoxy)-N-methylpentan-1-amine
CID 62458714
4-pentoxypyridine
CID 23560340
4-(4-tert-butylphenoxy)-N-methylbutan-1-amine
CID 62454221
5-(4-chlorophenoxy)-N-methylpentan-1-amine
CID 62454431
N-methyl-3-phenoxypropan-1-amine
CID 22067856
5-pyridin-4-yloxypentan-1-ol
CID 46179486
7-pyridin-4-yloxyheptan-1-ol
CID 46179485
4-[(6-ethyl-3-pyridinyl)oxy]-N-methylbutan-1-amine
CID 145261843
1-(4-pentoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 28670478
3-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 82097706
4-(3-bromo-4-fluorophenoxy)-N-methylbutan-1-amine
CID 83234496
ethoxy-dimethyl-(6-pyridin-4-yloxyhexyl)silane
CID 91275101

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-pyridin-4-yloxybutan-1-amine?
The IUPAC name of N-methyl-4-pyridin-4-yloxybutan-1-amine (CID 174683460) is N-methyl-4-pyridin-4-yloxybutan-1-amine.
What is the SMILES notation for N-methyl-4-pyridin-4-yloxybutan-1-amine?
The canonical SMILES for N-methyl-4-pyridin-4-yloxybutan-1-amine is CNCCCCOc1ccncc1.
What is the InChIKey of N-methyl-4-pyridin-4-yloxybutan-1-amine?
The InChIKey is OSHWCIXFWJYNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-11-6-2-3-9-13-10-4-7-12-8-5-10/h4-5,7-8,11H,2-3,6,9H2,1H3.
What are the key properties of N-methyl-4-pyridin-4-yloxybutan-1-amine?
N-methyl-4-pyridin-4-yloxybutan-1-amine has a molecular weight of 180.25 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-pyridin-4-yloxybutan-1-amine is sourced from PubChem (CID 174683460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).