9-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]nonan-1-amine

C15H28BrN3 — CID 105343668

IUPAC9-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]nonan-1-amine
SMILESCN(CCCCCCCCCBr)Cc1cnn(C)c1
InChIInChI=1S/C15H28BrN3/c1-18(13-15-12-17-19(2)14-15)11-9-7-5-3-4-6-8-10-16/h12,14H,3-11,13H2,1-2H3
InChIKeyLWGHIZITORJJJK-UHFFFAOYSA-N
MW330.31 g/mol
LogP3.98
Rot. Bonds11

About 9-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]nonan-1-amine

9-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]nonan-1-amine (PubChem CID 105343668) has the molecular formula C15H28BrN3 and a molecular weight of 330.31 g/mol. Its IUPAC name is 9-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]nonan-1-amine.

Molecular Properties

Compound Name9-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]nonan-1-amine
PubChem CID105343668
Molecular FormulaC15H28BrN3
Molecular Weight330.31 g/mol
Exact Mass329.15
IUPAC Name9-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]nonan-1-amine
SMILESCN(CCCCCCCCCBr)Cc1cnn(C)c1
InChIInChI=1S/C15H28BrN3/c1-18(13-15-12-17-19(2)14-15)11-9-7-5-3-4-6-8-10-16/h12,14H,3-11,13H2,1-2H3
InChIKeyLWGHIZITORJJJK-UHFFFAOYSA-N
XLogP3.98
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentanoic acid
CID 61442340
4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butanoic acid
CID 61442435
N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpropane-1,3-diamine
CID 61441963
6-bromo-N-[2-(1-methylpyrazol-4-yl)ethyl]hexan-1-amine
CID 107844230
N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propylethane-1,2-diamine
CID 61441962
N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 61442014
N-benzyl-2-bromo-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 80678771
3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propanehydrazide
CID 63583505
1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 22196060
5-bromo-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]pentan-1-amine
CID 107204808
4,4-dimethyl-1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentan-3-ol
CID 62625333
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 65009934

Frequently Asked Questions

What is the IUPAC name of 9-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]nonan-1-amine?
The IUPAC name of 9-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]nonan-1-amine (CID 105343668) is 9-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]nonan-1-amine.
What is the SMILES notation for 9-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]nonan-1-amine?
The canonical SMILES for 9-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]nonan-1-amine is CN(CCCCCCCCCBr)Cc1cnn(C)c1.
What is the InChIKey of 9-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]nonan-1-amine?
The InChIKey is LWGHIZITORJJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28BrN3/c1-18(13-15-12-17-19(2)14-15)11-9-7-5-3-4-6-8-10-16/h12,14H,3-11,13H2,1-2H3.
What are the key properties of 9-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]nonan-1-amine?
9-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]nonan-1-amine has a molecular weight of 330.31 g/mol, XLogP of 3.98, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]nonan-1-amine is sourced from PubChem (CID 105343668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).