3,5-dimethyl-2-(4-methylpentoxymethyl)pyridin-4-amine

C14H24N2O — CID 103183115

IUPAC3,5-dimethyl-2-(4-methylpentoxymethyl)pyridin-4-amine
SMILESCc1cnc(COCCCC(C)C)c(C)c1N
InChIInChI=1S/C14H24N2O/c1-10(2)6-5-7-17-9-13-12(4)14(15)11(3)8-16-13/h8,10H,5-7,9H2,1-4H3,(H2,15,16)
InChIKeyPNUTUKSTHITMOK-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.23
Rot. Bonds6

About 3,5-dimethyl-2-(4-methylpentoxymethyl)pyridin-4-amine

3,5-dimethyl-2-(4-methylpentoxymethyl)pyridin-4-amine (PubChem CID 103183115) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3,5-dimethyl-2-(4-methylpentoxymethyl)pyridin-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-2-(4-methylpentoxymethyl)pyridin-4-amine
PubChem CID103183115
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3,5-dimethyl-2-(4-methylpentoxymethyl)pyridin-4-amine
SMILESCc1cnc(COCCCC(C)C)c(C)c1N
InChIInChI=1S/C14H24N2O/c1-10(2)6-5-7-17-9-13-12(4)14(15)11(3)8-16-13/h8,10H,5-7,9H2,1-4H3,(H2,15,16)
InChIKeyPNUTUKSTHITMOK-UHFFFAOYSA-N
XLogP3.23
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.23
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-dimethyl-2-(4-methylpentoxymethyl)pyridin-4-amine?
The IUPAC name of 3,5-dimethyl-2-(4-methylpentoxymethyl)pyridin-4-amine (CID 103183115) is 3,5-dimethyl-2-(4-methylpentoxymethyl)pyridin-4-amine.
What is the SMILES notation for 3,5-dimethyl-2-(4-methylpentoxymethyl)pyridin-4-amine?
The canonical SMILES for 3,5-dimethyl-2-(4-methylpentoxymethyl)pyridin-4-amine is Cc1cnc(COCCCC(C)C)c(C)c1N.
What is the InChIKey of 3,5-dimethyl-2-(4-methylpentoxymethyl)pyridin-4-amine?
The InChIKey is PNUTUKSTHITMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10(2)6-5-7-17-9-13-12(4)14(15)11(3)8-16-13/h8,10H,5-7,9H2,1-4H3,(H2,15,16).
What are the key properties of 3,5-dimethyl-2-(4-methylpentoxymethyl)pyridin-4-amine?
3,5-dimethyl-2-(4-methylpentoxymethyl)pyridin-4-amine has a molecular weight of 236.36 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-(4-methylpentoxymethyl)pyridin-4-amine is sourced from PubChem (CID 103183115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).