4-[(4-bromo-2,4-dimethylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol

C14H30BrNO — CID 118351332

IUPAC4-[(4-bromo-2,4-dimethylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol
SMILESCC(C)(O)CC(C)(C)NC(C)(C)CC(C)(C)Br
InChIInChI=1S/C14H30BrNO/c1-11(2,15)9-12(3,4)16-13(5,6)10-14(7,8)17/h16-17H,9-10H2,1-8H3
InChIKeyLAAHCDBFBLJEJP-UHFFFAOYSA-N
MW308.30 g/mol
LogP3.86
Rot. Bonds6

About 4-[(4-bromo-2,4-dimethylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol

4-[(4-bromo-2,4-dimethylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol (PubChem CID 118351332) has the molecular formula C14H30BrNO and a molecular weight of 308.30 g/mol. Its IUPAC name is 4-[(4-bromo-2,4-dimethylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name4-[(4-bromo-2,4-dimethylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol
PubChem CID118351332
Molecular FormulaC14H30BrNO
Molecular Weight308.30 g/mol
Exact Mass307.15
IUPAC Name4-[(4-bromo-2,4-dimethylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol
SMILESCC(C)(O)CC(C)(C)NC(C)(C)CC(C)(C)Br
InChIInChI=1S/C14H30BrNO/c1-11(2,15)9-12(3,4)16-13(5,6)10-14(7,8)17/h16-17H,9-10H2,1-8H3
InChIKeyLAAHCDBFBLJEJP-UHFFFAOYSA-N
XLogP3.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-2,4-dimethylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol?
The IUPAC name of 4-[(4-bromo-2,4-dimethylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol (CID 118351332) is 4-[(4-bromo-2,4-dimethylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 4-[(4-bromo-2,4-dimethylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol?
The canonical SMILES for 4-[(4-bromo-2,4-dimethylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol is CC(C)(O)CC(C)(C)NC(C)(C)CC(C)(C)Br.
What is the InChIKey of 4-[(4-bromo-2,4-dimethylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol?
The InChIKey is LAAHCDBFBLJEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30BrNO/c1-11(2,15)9-12(3,4)16-13(5,6)10-14(7,8)17/h16-17H,9-10H2,1-8H3.
What are the key properties of 4-[(4-bromo-2,4-dimethylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol?
4-[(4-bromo-2,4-dimethylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol has a molecular weight of 308.30 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-2,4-dimethylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 118351332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).