3-bromo-N-(1-cyclopropylethyl)-N,2,2-trimethylpropan-1-amine

C11H22BrN — CID 65000291

IUPAC3-bromo-N-(1-cyclopropylethyl)-N,2,2-trimethylpropan-1-amine
SMILESCC(C1CC1)N(C)CC(C)(C)CBr
InChIInChI=1S/C11H22BrN/c1-9(10-5-6-10)13(4)8-11(2,3)7-12/h9-10H,5-8H2,1-4H3
InChIKeyRSFYTVVIBJRBPX-UHFFFAOYSA-N
MW248.21 g/mol
LogP3.14
Rot. Bonds5

About 3-bromo-N-(1-cyclopropylethyl)-N,2,2-trimethylpropan-1-amine

3-bromo-N-(1-cyclopropylethyl)-N,2,2-trimethylpropan-1-amine (PubChem CID 65000291) has the molecular formula C11H22BrN and a molecular weight of 248.21 g/mol. Its IUPAC name is 3-bromo-N-(1-cyclopropylethyl)-N,2,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name3-bromo-N-(1-cyclopropylethyl)-N,2,2-trimethylpropan-1-amine
PubChem CID65000291
Molecular FormulaC11H22BrN
Molecular Weight248.21 g/mol
Exact Mass247.09
IUPAC Name3-bromo-N-(1-cyclopropylethyl)-N,2,2-trimethylpropan-1-amine
SMILESCC(C1CC1)N(C)CC(C)(C)CBr
InChIInChI=1S/C11H22BrN/c1-9(10-5-6-10)13(4)8-11(2,3)7-12/h9-10H,5-8H2,1-4H3
InChIKeyRSFYTVVIBJRBPX-UHFFFAOYSA-N
XLogP3.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-bromo-N-(1-cyclopropylethyl)-N,2,2-trimethylpropan-1-amine?
The IUPAC name of 3-bromo-N-(1-cyclopropylethyl)-N,2,2-trimethylpropan-1-amine (CID 65000291) is 3-bromo-N-(1-cyclopropylethyl)-N,2,2-trimethylpropan-1-amine.
What is the SMILES notation for 3-bromo-N-(1-cyclopropylethyl)-N,2,2-trimethylpropan-1-amine?
The canonical SMILES for 3-bromo-N-(1-cyclopropylethyl)-N,2,2-trimethylpropan-1-amine is CC(C1CC1)N(C)CC(C)(C)CBr.
What is the InChIKey of 3-bromo-N-(1-cyclopropylethyl)-N,2,2-trimethylpropan-1-amine?
The InChIKey is RSFYTVVIBJRBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrN/c1-9(10-5-6-10)13(4)8-11(2,3)7-12/h9-10H,5-8H2,1-4H3.
What are the key properties of 3-bromo-N-(1-cyclopropylethyl)-N,2,2-trimethylpropan-1-amine?
3-bromo-N-(1-cyclopropylethyl)-N,2,2-trimethylpropan-1-amine has a molecular weight of 248.21 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-cyclopropylethyl)-N,2,2-trimethylpropan-1-amine is sourced from PubChem (CID 65000291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).