3-(5-methoxypentyl)pyridin-4-amine

C11H18N2O — CID 104649837

IUPAC3-(5-methoxypentyl)pyridin-4-amine
SMILESCOCCCCCc1cnccc1N
InChIInChI=1S/C11H18N2O/c1-14-8-4-2-3-5-10-9-13-7-6-11(10)12/h6-7,9H,2-5,8H2,1H3,(H2,12,13)
InChIKeyNANDDZKYBMNKMN-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.02
Rot. Bonds6

About 3-(5-methoxypentyl)pyridin-4-amine

3-(5-methoxypentyl)pyridin-4-amine (PubChem CID 104649837) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-(5-methoxypentyl)pyridin-4-amine.

Molecular Properties

Compound Name3-(5-methoxypentyl)pyridin-4-amine
PubChem CID104649837
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-(5-methoxypentyl)pyridin-4-amine
SMILESCOCCCCCc1cnccc1N
InChIInChI=1S/C11H18N2O/c1-14-8-4-2-3-5-10-9-13-7-6-11(10)12/h6-7,9H,2-5,8H2,1H3,(H2,12,13)
InChIKeyNANDDZKYBMNKMN-UHFFFAOYSA-N
XLogP2.02
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.02
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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Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxypentyl)pyridin-4-amine?
The IUPAC name of 3-(5-methoxypentyl)pyridin-4-amine (CID 104649837) is 3-(5-methoxypentyl)pyridin-4-amine.
What is the SMILES notation for 3-(5-methoxypentyl)pyridin-4-amine?
The canonical SMILES for 3-(5-methoxypentyl)pyridin-4-amine is COCCCCCc1cnccc1N.
What is the InChIKey of 3-(5-methoxypentyl)pyridin-4-amine?
The InChIKey is NANDDZKYBMNKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-14-8-4-2-3-5-10-9-13-7-6-11(10)12/h6-7,9H,2-5,8H2,1H3,(H2,12,13).
What are the key properties of 3-(5-methoxypentyl)pyridin-4-amine?
3-(5-methoxypentyl)pyridin-4-amine has a molecular weight of 194.28 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxypentyl)pyridin-4-amine is sourced from PubChem (CID 104649837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).