7-methyl-N-[(2-methylpyrimidin-4-yl)methyl]octan-1-amine

C15H27N3 — CID 62747506

IUPAC7-methyl-N-[(2-methylpyrimidin-4-yl)methyl]octan-1-amine
SMILESCc1nccc(CNCCCCCCC(C)C)n1
InChIInChI=1S/C15H27N3/c1-13(2)8-6-4-5-7-10-16-12-15-9-11-17-14(3)18-15/h9,11,13,16H,4-8,10,12H2,1-3H3
InChIKeyMVCJCIVITPYRRG-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.48
Rot. Bonds9

About 7-methyl-N-[(2-methylpyrimidin-4-yl)methyl]octan-1-amine

7-methyl-N-[(2-methylpyrimidin-4-yl)methyl]octan-1-amine (PubChem CID 62747506) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 7-methyl-N-[(2-methylpyrimidin-4-yl)methyl]octan-1-amine.

Molecular Properties

Compound Name7-methyl-N-[(2-methylpyrimidin-4-yl)methyl]octan-1-amine
PubChem CID62747506
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name7-methyl-N-[(2-methylpyrimidin-4-yl)methyl]octan-1-amine
SMILESCc1nccc(CNCCCCCCC(C)C)n1
InChIInChI=1S/C15H27N3/c1-13(2)8-6-4-5-7-10-16-12-15-9-11-17-14(3)18-15/h9,11,13,16H,4-8,10,12H2,1-3H3
InChIKeyMVCJCIVITPYRRG-UHFFFAOYSA-N
XLogP3.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.48
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 7-methyl-N-[(2-methylpyrimidin-4-yl)methyl]octan-1-amine?
The IUPAC name of 7-methyl-N-[(2-methylpyrimidin-4-yl)methyl]octan-1-amine (CID 62747506) is 7-methyl-N-[(2-methylpyrimidin-4-yl)methyl]octan-1-amine.
What is the SMILES notation for 7-methyl-N-[(2-methylpyrimidin-4-yl)methyl]octan-1-amine?
The canonical SMILES for 7-methyl-N-[(2-methylpyrimidin-4-yl)methyl]octan-1-amine is Cc1nccc(CNCCCCCCC(C)C)n1.
What is the InChIKey of 7-methyl-N-[(2-methylpyrimidin-4-yl)methyl]octan-1-amine?
The InChIKey is MVCJCIVITPYRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-13(2)8-6-4-5-7-10-16-12-15-9-11-17-14(3)18-15/h9,11,13,16H,4-8,10,12H2,1-3H3.
What are the key properties of 7-methyl-N-[(2-methylpyrimidin-4-yl)methyl]octan-1-amine?
7-methyl-N-[(2-methylpyrimidin-4-yl)methyl]octan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[(2-methylpyrimidin-4-yl)methyl]octan-1-amine is sourced from PubChem (CID 62747506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).