2-(bromomethyl)-2-ethyl-N-methyl-N-(pyridin-2-ylmethyl)butan-1-amine

C14H23BrN2 — CID 65003475

IUPAC2-(bromomethyl)-2-ethyl-N-methyl-N-(pyridin-2-ylmethyl)butan-1-amine
SMILESCCC(CC)(CBr)CN(C)Cc1ccccn1
InChIInChI=1S/C14H23BrN2/c1-4-14(5-2,11-15)12-17(3)10-13-8-6-7-9-16-13/h6-9H,4-5,10-12H2,1-3H3
InChIKeyBVOKSZBVYLDYHL-UHFFFAOYSA-N
MW299.26 g/mol
LogP3.71
Rot. Bonds7

About 2-(bromomethyl)-2-ethyl-N-methyl-N-(pyridin-2-ylmethyl)butan-1-amine

2-(bromomethyl)-2-ethyl-N-methyl-N-(pyridin-2-ylmethyl)butan-1-amine (PubChem CID 65003475) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is 2-(bromomethyl)-2-ethyl-N-methyl-N-(pyridin-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name2-(bromomethyl)-2-ethyl-N-methyl-N-(pyridin-2-ylmethyl)butan-1-amine
PubChem CID65003475
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC Name2-(bromomethyl)-2-ethyl-N-methyl-N-(pyridin-2-ylmethyl)butan-1-amine
SMILESCCC(CC)(CBr)CN(C)Cc1ccccn1
InChIInChI=1S/C14H23BrN2/c1-4-14(5-2,11-15)12-17(3)10-13-8-6-7-9-16-13/h6-9H,4-5,10-12H2,1-3H3
InChIKeyBVOKSZBVYLDYHL-UHFFFAOYSA-N
XLogP3.71
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
2-methyl-1-[methyl(pyridin-2-ylmethyl)amino]propane-2-thiol
CID 91261751
2-(bromomethyl)-N-methyl-2-propyl-N-(2-pyridin-2-ylethyl)pentan-1-amine
CID 65005071
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
1-N,2-N,2-trimethyl-1-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 62846215
N',2,2-trimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 62256476
3,3-dimethyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-one
CID 66453800
N-tert-butyl-N',2-dimethyl-2-propyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 62255946
2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]-2-phenylpropanoic acid
CID 62270659
2-methyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-ol
CID 79360655
N,2-dimethyl-N'-propan-2-yl-2-propyl-N-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 62255944
1-(4-bromophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine
CID 60712627

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-2-ethyl-N-methyl-N-(pyridin-2-ylmethyl)butan-1-amine?
The IUPAC name of 2-(bromomethyl)-2-ethyl-N-methyl-N-(pyridin-2-ylmethyl)butan-1-amine (CID 65003475) is 2-(bromomethyl)-2-ethyl-N-methyl-N-(pyridin-2-ylmethyl)butan-1-amine.
What is the SMILES notation for 2-(bromomethyl)-2-ethyl-N-methyl-N-(pyridin-2-ylmethyl)butan-1-amine?
The canonical SMILES for 2-(bromomethyl)-2-ethyl-N-methyl-N-(pyridin-2-ylmethyl)butan-1-amine is CCC(CC)(CBr)CN(C)Cc1ccccn1.
What is the InChIKey of 2-(bromomethyl)-2-ethyl-N-methyl-N-(pyridin-2-ylmethyl)butan-1-amine?
The InChIKey is BVOKSZBVYLDYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-4-14(5-2,11-15)12-17(3)10-13-8-6-7-9-16-13/h6-9H,4-5,10-12H2,1-3H3.
What are the key properties of 2-(bromomethyl)-2-ethyl-N-methyl-N-(pyridin-2-ylmethyl)butan-1-amine?
2-(bromomethyl)-2-ethyl-N-methyl-N-(pyridin-2-ylmethyl)butan-1-amine has a molecular weight of 299.26 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-2-ethyl-N-methyl-N-(pyridin-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 65003475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).