N-methyl-1-(2-methylpyrimidin-4-yl)nonan-1-amine

C15H27N3 — CID 115530489

IUPACN-methyl-1-(2-methylpyrimidin-4-yl)nonan-1-amine
SMILESCCCCCCCCC(NC)c1ccnc(C)n1
InChIInChI=1S/C15H27N3/c1-4-5-6-7-8-9-10-14(16-3)15-11-12-17-13(2)18-15/h11-12,14,16H,4-10H2,1-3H3
InChIKeyJAWZQRPENPWWEQ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.80
Rot. Bonds9

About N-methyl-1-(2-methylpyrimidin-4-yl)nonan-1-amine

N-methyl-1-(2-methylpyrimidin-4-yl)nonan-1-amine (PubChem CID 115530489) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-methyl-1-(2-methylpyrimidin-4-yl)nonan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methylpyrimidin-4-yl)nonan-1-amine
PubChem CID115530489
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-methyl-1-(2-methylpyrimidin-4-yl)nonan-1-amine
SMILESCCCCCCCCC(NC)c1ccnc(C)n1
InChIInChI=1S/C15H27N3/c1-4-5-6-7-8-9-10-14(16-3)15-11-12-17-13(2)18-15/h11-12,14,16H,4-10H2,1-3H3
InChIKeyJAWZQRPENPWWEQ-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
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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Related Compounds

1-(2-methylpyrimidin-4-yl)undecylhydrazine
CID 105260655
N-ethyl-1-(2-methylpyrimidin-4-yl)heptan-1-amine
CID 113329619
1-(2-methylpyrimidin-4-yl)octan-1-ol
CID 115527924
1-(2-methylpyrimidin-4-yl)tridecan-1-ol
CID 115528032
N-methyl-1-(2-methylpyrimidin-4-yl)-4-methylsulfonylbutan-1-amine
CID 113329542
3-ethyl-N-methyl-1-(2-methylpyrimidin-4-yl)pentan-1-amine
CID 82922386
N-methyl-1-(5-methylpyrazin-2-yl)decan-1-amine
CID 105124065
1-(5-fluoro-2-pyridinyl)-N-methyldecan-1-amine
CID 79712241
N-methyl-1-(2-methyl-3-pyridinyl)octan-1-amine
CID 105124578
N-methyl-1-pyrimidin-2-ylundecan-1-amine
CID 62600438
N-methyl-1-pyridin-4-yldecan-1-amine
CID 62600532
1-(2,6-dimethyl-3-pyridinyl)-N-methyloctan-1-amine
CID 105124721

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylpyrimidin-4-yl)nonan-1-amine?
The IUPAC name of N-methyl-1-(2-methylpyrimidin-4-yl)nonan-1-amine (CID 115530489) is N-methyl-1-(2-methylpyrimidin-4-yl)nonan-1-amine.
What is the SMILES notation for N-methyl-1-(2-methylpyrimidin-4-yl)nonan-1-amine?
The canonical SMILES for N-methyl-1-(2-methylpyrimidin-4-yl)nonan-1-amine is CCCCCCCCC(NC)c1ccnc(C)n1.
What is the InChIKey of N-methyl-1-(2-methylpyrimidin-4-yl)nonan-1-amine?
The InChIKey is JAWZQRPENPWWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-5-6-7-8-9-10-14(16-3)15-11-12-17-13(2)18-15/h11-12,14,16H,4-10H2,1-3H3.
What are the key properties of N-methyl-1-(2-methylpyrimidin-4-yl)nonan-1-amine?
N-methyl-1-(2-methylpyrimidin-4-yl)nonan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylpyrimidin-4-yl)nonan-1-amine is sourced from PubChem (CID 115530489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).