2-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-3-methylbutanamide

C13H27BrN2O — CID 18070575

IUPAC2-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-3-methylbutanamide
SMILESCC(C)C(Br)C(=O)NCCN(C(C)C)C(C)C
InChIInChI=1S/C13H27BrN2O/c1-9(2)12(14)13(17)15-7-8-16(10(3)4)11(5)6/h9-12H,7-8H2,1-6H3,(H,15,17)
InChIKeyWJIOSHFWSQSCFH-UHFFFAOYSA-N
MW307.28 g/mol
LogP2.64
Rot. Bonds7

About 2-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-3-methylbutanamide

2-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-3-methylbutanamide (PubChem CID 18070575) has the molecular formula C13H27BrN2O and a molecular weight of 307.28 g/mol. Its IUPAC name is 2-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-3-methylbutanamide
PubChem CID18070575
Molecular FormulaC13H27BrN2O
Molecular Weight307.28 g/mol
Exact Mass306.13
IUPAC Name2-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-3-methylbutanamide
SMILESCC(C)C(Br)C(=O)NCCN(C(C)C)C(C)C
InChIInChI=1S/C13H27BrN2O/c1-9(2)12(14)13(17)15-7-8-16(10(3)4)11(5)6/h9-12H,7-8H2,1-6H3,(H,15,17)
InChIKeyWJIOSHFWSQSCFH-UHFFFAOYSA-N
XLogP2.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
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 2-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-3-methylbutanamide?
The IUPAC name of 2-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-3-methylbutanamide (CID 18070575) is 2-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-3-methylbutanamide.
What is the SMILES notation for 2-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-3-methylbutanamide?
The canonical SMILES for 2-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-3-methylbutanamide is CC(C)C(Br)C(=O)NCCN(C(C)C)C(C)C.
What is the InChIKey of 2-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-3-methylbutanamide?
The InChIKey is WJIOSHFWSQSCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27BrN2O/c1-9(2)12(14)13(17)15-7-8-16(10(3)4)11(5)6/h9-12H,7-8H2,1-6H3,(H,15,17).
What are the key properties of 2-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-3-methylbutanamide?
2-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-3-methylbutanamide has a molecular weight of 307.28 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-3-methylbutanamide is sourced from PubChem (CID 18070575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).