2-(bromomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3,3-dimethylbutan-1-amine

C14H30BrNO2 — CID 65015636

IUPAC2-(bromomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3,3-dimethylbutan-1-amine
SMILESCOCCCN(CCOC)CC(CBr)C(C)(C)C
InChIInChI=1S/C14H30BrNO2/c1-14(2,3)13(11-15)12-16(8-10-18-5)7-6-9-17-4/h13H,6-12H2,1-5H3
InChIKeyCRYBGMGQYXUVGI-UHFFFAOYSA-N
MW324.30 g/mol
LogP3.03
Rot. Bonds10

About 2-(bromomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3,3-dimethylbutan-1-amine

2-(bromomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3,3-dimethylbutan-1-amine (PubChem CID 65015636) has the molecular formula C14H30BrNO2 and a molecular weight of 324.30 g/mol. Its IUPAC name is 2-(bromomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-(bromomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3,3-dimethylbutan-1-amine
PubChem CID65015636
Molecular FormulaC14H30BrNO2
Molecular Weight324.30 g/mol
Exact Mass323.15
IUPAC Name2-(bromomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3,3-dimethylbutan-1-amine
SMILESCOCCCN(CCOC)CC(CBr)C(C)(C)C
InChIInChI=1S/C14H30BrNO2/c1-14(2,3)13(11-15)12-16(8-10-18-5)7-6-9-17-4/h13H,6-12H2,1-5H3
InChIKeyCRYBGMGQYXUVGI-UHFFFAOYSA-N
XLogP3.03
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 53.03
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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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3,3-dimethylbutan-1-amine?
The IUPAC name of 2-(bromomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3,3-dimethylbutan-1-amine (CID 65015636) is 2-(bromomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-(bromomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3,3-dimethylbutan-1-amine?
The canonical SMILES for 2-(bromomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3,3-dimethylbutan-1-amine is COCCCN(CCOC)CC(CBr)C(C)(C)C.
What is the InChIKey of 2-(bromomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3,3-dimethylbutan-1-amine?
The InChIKey is CRYBGMGQYXUVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30BrNO2/c1-14(2,3)13(11-15)12-16(8-10-18-5)7-6-9-17-4/h13H,6-12H2,1-5H3.
What are the key properties of 2-(bromomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3,3-dimethylbutan-1-amine?
2-(bromomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3,3-dimethylbutan-1-amine has a molecular weight of 324.30 g/mol, XLogP of 3.03, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 65015636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).