[2,3-dimethyl-5-(3-methylbutoxymethyl)-4-pyridinyl]methanamine

C14H24N2O — CID 118399957

IUPAC[2,3-dimethyl-5-(3-methylbutoxymethyl)-4-pyridinyl]methanamine
SMILESCc1ncc(COCCC(C)C)c(CN)c1C
InChIInChI=1S/C14H24N2O/c1-10(2)5-6-17-9-13-8-16-12(4)11(3)14(13)7-15/h8,10H,5-7,9,15H2,1-4H3
InChIKeyBACRTQLUQCIDMS-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.72
Rot. Bonds6

About [2,3-dimethyl-5-(3-methylbutoxymethyl)-4-pyridinyl]methanamine

[2,3-dimethyl-5-(3-methylbutoxymethyl)-4-pyridinyl]methanamine (PubChem CID 118399957) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is [2,3-dimethyl-5-(3-methylbutoxymethyl)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2,3-dimethyl-5-(3-methylbutoxymethyl)-4-pyridinyl]methanamine
PubChem CID118399957
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name[2,3-dimethyl-5-(3-methylbutoxymethyl)-4-pyridinyl]methanamine
SMILESCc1ncc(COCCC(C)C)c(CN)c1C
InChIInChI=1S/C14H24N2O/c1-10(2)5-6-17-9-13-8-16-12(4)11(3)14(13)7-15/h8,10H,5-7,9,15H2,1-4H3
InChIKeyBACRTQLUQCIDMS-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
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 [2,3-dimethyl-5-(3-methylbutoxymethyl)-4-pyridinyl]methanamine?
The IUPAC name of [2,3-dimethyl-5-(3-methylbutoxymethyl)-4-pyridinyl]methanamine (CID 118399957) is [2,3-dimethyl-5-(3-methylbutoxymethyl)-4-pyridinyl]methanamine.
What is the SMILES notation for [2,3-dimethyl-5-(3-methylbutoxymethyl)-4-pyridinyl]methanamine?
The canonical SMILES for [2,3-dimethyl-5-(3-methylbutoxymethyl)-4-pyridinyl]methanamine is Cc1ncc(COCCC(C)C)c(CN)c1C.
What is the InChIKey of [2,3-dimethyl-5-(3-methylbutoxymethyl)-4-pyridinyl]methanamine?
The InChIKey is BACRTQLUQCIDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10(2)5-6-17-9-13-8-16-12(4)11(3)14(13)7-15/h8,10H,5-7,9,15H2,1-4H3.
What are the key properties of [2,3-dimethyl-5-(3-methylbutoxymethyl)-4-pyridinyl]methanamine?
[2,3-dimethyl-5-(3-methylbutoxymethyl)-4-pyridinyl]methanamine has a molecular weight of 236.36 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-dimethyl-5-(3-methylbutoxymethyl)-4-pyridinyl]methanamine is sourced from PubChem (CID 118399957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).