[6-methyl-4-(3-pyridin-4-ylpropoxy)-3-pyridinyl]methanamine

C15H19N3O — CID 81254097

IUPAC[6-methyl-4-(3-pyridin-4-ylpropoxy)-3-pyridinyl]methanamine
SMILESCc1cc(OCCCc2ccncc2)c(CN)cn1
InChIInChI=1S/C15H19N3O/c1-12-9-15(14(10-16)11-18-12)19-8-2-3-13-4-6-17-7-5-13/h4-7,9,11H,2-3,8,10,16H2,1H3
InChIKeyAVERALMDBLQNKQ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.26
Rot. Bonds6

About [6-methyl-4-(3-pyridin-4-ylpropoxy)-3-pyridinyl]methanamine

[6-methyl-4-(3-pyridin-4-ylpropoxy)-3-pyridinyl]methanamine (PubChem CID 81254097) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is [6-methyl-4-(3-pyridin-4-ylpropoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-methyl-4-(3-pyridin-4-ylpropoxy)-3-pyridinyl]methanamine
PubChem CID81254097
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name[6-methyl-4-(3-pyridin-4-ylpropoxy)-3-pyridinyl]methanamine
SMILESCc1cc(OCCCc2ccncc2)c(CN)cn1
InChIInChI=1S/C15H19N3O/c1-12-9-15(14(10-16)11-18-12)19-8-2-3-13-4-6-17-7-5-13/h4-7,9,11H,2-3,8,10,16H2,1H3
InChIKeyAVERALMDBLQNKQ-UHFFFAOYSA-N
XLogP2.26
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(chloromethyl)-2-methyl-4-(3-pyridin-4-ylpropoxy)pyridine
CID 81235009
[2-methyl-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine
CID 81278633
(4-ethoxy-6-methyl-3-pyridinyl)methanamine
CID 81255491
[3-methyl-2-(3-pyridin-4-ylpropoxy)phenyl]methanamine
CID 107105932
2,6-dimethyl-4-(3-pyridin-4-ylpropoxy)pyridine-3-carbothioamide
CID 81037735
[2-chloro-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine
CID 62945709
[2-methoxy-5-(3-pyridin-4-ylpropoxymethyl)phenyl]methanamine
CID 65338927
2,6-dimethyl-4-(3-pyridin-4-ylpropoxy)pyridine-3-carboxylic acid
CID 81037807
2-chloro-5-methyl-4-(3-pyridin-4-ylpropoxy)aniline
CID 115555280
2,6-dimethyl-4-(3-pyridin-4-ylpropoxy)pyridine-3-carboximidamide
CID 81036309
[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]methanamine
CID 113320443
N-methyl-1-[3-(3-pyridin-4-ylpropoxy)-4-pyridinyl]methanamine
CID 105075104

Frequently Asked Questions

What is the IUPAC name of [6-methyl-4-(3-pyridin-4-ylpropoxy)-3-pyridinyl]methanamine?
The IUPAC name of [6-methyl-4-(3-pyridin-4-ylpropoxy)-3-pyridinyl]methanamine (CID 81254097) is [6-methyl-4-(3-pyridin-4-ylpropoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [6-methyl-4-(3-pyridin-4-ylpropoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [6-methyl-4-(3-pyridin-4-ylpropoxy)-3-pyridinyl]methanamine is Cc1cc(OCCCc2ccncc2)c(CN)cn1.
What is the InChIKey of [6-methyl-4-(3-pyridin-4-ylpropoxy)-3-pyridinyl]methanamine?
The InChIKey is AVERALMDBLQNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12-9-15(14(10-16)11-18-12)19-8-2-3-13-4-6-17-7-5-13/h4-7,9,11H,2-3,8,10,16H2,1H3.
What are the key properties of [6-methyl-4-(3-pyridin-4-ylpropoxy)-3-pyridinyl]methanamine?
[6-methyl-4-(3-pyridin-4-ylpropoxy)-3-pyridinyl]methanamine has a molecular weight of 257.34 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-4-(3-pyridin-4-ylpropoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 81254097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).