4-methoxy-1-pyridin-4-ylbutan-1-amine

C10H16N2O — CID 115601661

IUPAC4-methoxy-1-pyridin-4-ylbutan-1-amine
SMILESCOCCCC(N)c1ccncc1
InChIInChI=1S/C10H16N2O/c1-13-8-2-3-10(11)9-4-6-12-7-5-9/h4-7,10H,2-3,8,11H2,1H3
InChIKeyBOSQTQQKEQTQFD-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.51
Rot. Bonds5

About 4-methoxy-1-pyridin-4-ylbutan-1-amine

4-methoxy-1-pyridin-4-ylbutan-1-amine (PubChem CID 115601661) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-methoxy-1-pyridin-4-ylbutan-1-amine.

Molecular Properties

Compound Name4-methoxy-1-pyridin-4-ylbutan-1-amine
PubChem CID115601661
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name4-methoxy-1-pyridin-4-ylbutan-1-amine
SMILESCOCCCC(N)c1ccncc1
InChIInChI=1S/C10H16N2O/c1-13-8-2-3-10(11)9-4-6-12-7-5-9/h4-7,10H,2-3,8,11H2,1H3
InChIKeyBOSQTQQKEQTQFD-UHFFFAOYSA-N
XLogP1.51
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.51
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

1-(4-chlorophenyl)-4-methoxybutan-1-amine
CID 62607559
4-phenoxy-1-pyridin-4-ylbutan-1-amine
CID 114991659
(1S)-1-pyridin-4-ylpentan-1-amine;hydrochloride
CID 171219804
(1R)-1-pyridin-4-ylhexan-1-amine
CID 94506997
1-pyridin-4-ylnonan-1-amine
CID 62600271
(1R)-1-pyridin-4-ylhexan-1-amine;hydrochloride
CID 171200270
(1R)-1-pyridin-4-ylpentane-1,5-diamine;hydrochloride
CID 171200265
(1R)-1-pyridin-4-ylpropane-1,3-diamine;hydrochloride
CID 171200262
(1S)-1-pyridin-4-ylpropane-1,3-diamine;hydrochloride
CID 171219797
1-(3,4-difluorophenyl)-4-methoxybutan-1-amine
CID 62600679
(1R)-4-methyl-1-pyridin-4-ylpentan-1-amine;hydrochloride
CID 171200288
4-methoxy-1-quinolin-6-ylbutan-1-amine
CID 78924718

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-pyridin-4-ylbutan-1-amine?
The IUPAC name of 4-methoxy-1-pyridin-4-ylbutan-1-amine (CID 115601661) is 4-methoxy-1-pyridin-4-ylbutan-1-amine.
What is the SMILES notation for 4-methoxy-1-pyridin-4-ylbutan-1-amine?
The canonical SMILES for 4-methoxy-1-pyridin-4-ylbutan-1-amine is COCCCC(N)c1ccncc1.
What is the InChIKey of 4-methoxy-1-pyridin-4-ylbutan-1-amine?
The InChIKey is BOSQTQQKEQTQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-13-8-2-3-10(11)9-4-6-12-7-5-9/h4-7,10H,2-3,8,11H2,1H3.
What are the key properties of 4-methoxy-1-pyridin-4-ylbutan-1-amine?
4-methoxy-1-pyridin-4-ylbutan-1-amine has a molecular weight of 180.25 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-pyridin-4-ylbutan-1-amine is sourced from PubChem (CID 115601661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).