2-(bromomethyl)-N-methyl-2-propyl-N-(2-pyridin-2-ylethyl)pentan-1-amine

C17H29BrN2 — CID 65005071

IUPAC2-(bromomethyl)-N-methyl-2-propyl-N-(2-pyridin-2-ylethyl)pentan-1-amine
SMILESCCCC(CBr)(CCC)CN(C)CCc1ccccn1
InChIInChI=1S/C17H29BrN2/c1-4-10-17(14-18,11-5-2)15-20(3)13-9-16-8-6-7-12-19-16/h6-8,12H,4-5,9-11,13-15H2,1-3H3
InChIKeyUSTBVVRCLFDRNP-UHFFFAOYSA-N
MW341.34 g/mol
LogP4.54
Rot. Bonds10

About 2-(bromomethyl)-N-methyl-2-propyl-N-(2-pyridin-2-ylethyl)pentan-1-amine

2-(bromomethyl)-N-methyl-2-propyl-N-(2-pyridin-2-ylethyl)pentan-1-amine (PubChem CID 65005071) has the molecular formula C17H29BrN2 and a molecular weight of 341.34 g/mol. Its IUPAC name is 2-(bromomethyl)-N-methyl-2-propyl-N-(2-pyridin-2-ylethyl)pentan-1-amine.

Molecular Properties

Compound Name2-(bromomethyl)-N-methyl-2-propyl-N-(2-pyridin-2-ylethyl)pentan-1-amine
PubChem CID65005071
Molecular FormulaC17H29BrN2
Molecular Weight341.34 g/mol
Exact Mass340.15
IUPAC Name2-(bromomethyl)-N-methyl-2-propyl-N-(2-pyridin-2-ylethyl)pentan-1-amine
SMILESCCCC(CBr)(CCC)CN(C)CCc1ccccn1
InChIInChI=1S/C17H29BrN2/c1-4-10-17(14-18,11-5-2)15-20(3)13-9-16-8-6-7-12-19-16/h6-8,12H,4-5,9-11,13-15H2,1-3H3
InChIKeyUSTBVVRCLFDRNP-UHFFFAOYSA-N
XLogP4.54
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 54.54
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

2-(bromomethyl)-N-methyl-N-(2-phenylethyl)-2-propylpentan-1-amine
CID 65487454
N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 21307320
2-(bromomethyl)-2-ethyl-N-methyl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 65003475
N,2-dimethyl-N',2-dipropyl-N-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 62262340
3,3-dimethyl-4-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol
CID 66454768
2-ethyl-N,N',2-trimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 55051379
N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 62261769
2-ethyl-2-N-methyl-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine
CID 114079872
1-[methyl(2-pyridin-2-ylethyl)amino]pentan-2-ol
CID 62042147
3-[methyl(2-pyridin-2-ylethyl)amino]propan-1-ol
CID 43393524
N-methyl-N-[(2-methylpropan-2-yl)oxy]-2-pyridin-2-ylethanamine
CID 162487755
N-[(2-bromophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 779150

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-N-methyl-2-propyl-N-(2-pyridin-2-ylethyl)pentan-1-amine?
The IUPAC name of 2-(bromomethyl)-N-methyl-2-propyl-N-(2-pyridin-2-ylethyl)pentan-1-amine (CID 65005071) is 2-(bromomethyl)-N-methyl-2-propyl-N-(2-pyridin-2-ylethyl)pentan-1-amine.
What is the SMILES notation for 2-(bromomethyl)-N-methyl-2-propyl-N-(2-pyridin-2-ylethyl)pentan-1-amine?
The canonical SMILES for 2-(bromomethyl)-N-methyl-2-propyl-N-(2-pyridin-2-ylethyl)pentan-1-amine is CCCC(CBr)(CCC)CN(C)CCc1ccccn1.
What is the InChIKey of 2-(bromomethyl)-N-methyl-2-propyl-N-(2-pyridin-2-ylethyl)pentan-1-amine?
The InChIKey is USTBVVRCLFDRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29BrN2/c1-4-10-17(14-18,11-5-2)15-20(3)13-9-16-8-6-7-12-19-16/h6-8,12H,4-5,9-11,13-15H2,1-3H3.
What are the key properties of 2-(bromomethyl)-N-methyl-2-propyl-N-(2-pyridin-2-ylethyl)pentan-1-amine?
2-(bromomethyl)-N-methyl-2-propyl-N-(2-pyridin-2-ylethyl)pentan-1-amine has a molecular weight of 341.34 g/mol, XLogP of 4.54, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-N-methyl-2-propyl-N-(2-pyridin-2-ylethyl)pentan-1-amine is sourced from PubChem (CID 65005071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).