N-(bromomethyl)-2-methyl-2-pyridin-2-ylpropan-1-amine

C10H15BrN2 — CID 115262628

IUPACN-(bromomethyl)-2-methyl-2-pyridin-2-ylpropan-1-amine
SMILESCC(C)(CNCBr)c1ccccn1
InChIInChI=1S/C10H15BrN2/c1-10(2,7-12-8-11)9-5-3-4-6-13-9/h3-6,12H,7-8H2,1-2H3
InChIKeyTUPKZRDVONNWKA-UHFFFAOYSA-N
MW243.15 g/mol
LogP2.30
Rot. Bonds4

About N-(bromomethyl)-2-methyl-2-pyridin-2-ylpropan-1-amine

N-(bromomethyl)-2-methyl-2-pyridin-2-ylpropan-1-amine (PubChem CID 115262628) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is N-(bromomethyl)-2-methyl-2-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-(bromomethyl)-2-methyl-2-pyridin-2-ylpropan-1-amine
PubChem CID115262628
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC NameN-(bromomethyl)-2-methyl-2-pyridin-2-ylpropan-1-amine
SMILESCC(C)(CNCBr)c1ccccn1
InChIInChI=1S/C10H15BrN2/c1-10(2,7-12-8-11)9-5-3-4-6-13-9/h3-6,12H,7-8H2,1-2H3
InChIKeyTUPKZRDVONNWKA-UHFFFAOYSA-N
XLogP2.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

3-[(2-methyl-2-pyridin-2-ylpropyl)amino]propane-1,2-diol
CID 115122517
2-methyl-2-N-(2-methyl-2-pyridin-2-ylpropyl)propane-1,2-diamine
CID 115132375
2-methyl-N'-(2-methyl-2-pyridin-2-ylpropyl)butane-1,4-diamine
CID 115203531
3-methyl-3-N-(2-methyl-2-pyridin-2-ylpropyl)butane-1,3-diamine
CID 115135085
5-bromo-3-methyl-N-(2-methyl-2-pyridin-2-ylpropyl)pyridin-2-amine
CID 115148709
N-(bromomethyl)-2-methyl-2-(2-methylphenyl)propan-1-amine
CID 115262622
2-tert-butylpyridine;ethane;methane
CID 143332153
2-methyl-N-(morpholin-3-ylmethyl)-2-pyridin-2-ylpropan-1-amine
CID 115238220
2-methyl-2-pyridin-2-yl-N-(2-pyrrolidin-2-ylethyl)propan-1-amine
CID 115210518
5-[(2-methyl-2-pyridin-2-ylpropyl)amino]-5-oxopentanoic acid
CID 115163912
2-(2-pyridin-2-ylpropan-2-yloxy)ethanol
CID 141291865
3-methyl-3-pyridin-2-ylbutanamide
CID 67998308

Frequently Asked Questions

What is the IUPAC name of N-(bromomethyl)-2-methyl-2-pyridin-2-ylpropan-1-amine?
The IUPAC name of N-(bromomethyl)-2-methyl-2-pyridin-2-ylpropan-1-amine (CID 115262628) is N-(bromomethyl)-2-methyl-2-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for N-(bromomethyl)-2-methyl-2-pyridin-2-ylpropan-1-amine?
The canonical SMILES for N-(bromomethyl)-2-methyl-2-pyridin-2-ylpropan-1-amine is CC(C)(CNCBr)c1ccccn1.
What is the InChIKey of N-(bromomethyl)-2-methyl-2-pyridin-2-ylpropan-1-amine?
The InChIKey is TUPKZRDVONNWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-10(2,7-12-8-11)9-5-3-4-6-13-9/h3-6,12H,7-8H2,1-2H3.
What are the key properties of N-(bromomethyl)-2-methyl-2-pyridin-2-ylpropan-1-amine?
N-(bromomethyl)-2-methyl-2-pyridin-2-ylpropan-1-amine has a molecular weight of 243.15 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(bromomethyl)-2-methyl-2-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 115262628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).