(2R,3S)-N-(2-bromoethyl)-N-ethyl-3-methylpentan-2-amine

C10H22BrN — CID 59895636

IUPAC(2R,3S)-N-(2-bromoethyl)-N-ethyl-3-methylpentan-2-amine
SMILESCC[C@H](C)[C@@H](C)N(CC)CCBr
InChIInChI=1S/C10H22BrN/c1-5-9(3)10(4)12(6-2)8-7-11/h9-10H,5-8H2,1-4H3/t9-,10+/m0/s1
InChIKeyCMTFXYMRZOOAGH-VHSXEESVSA-N
MW236.20 g/mol
LogP3.14
Rot. Bonds6

About (2R,3S)-N-(2-bromoethyl)-N-ethyl-3-methylpentan-2-amine

(2R,3S)-N-(2-bromoethyl)-N-ethyl-3-methylpentan-2-amine (PubChem CID 59895636) has the molecular formula C10H22BrN and a molecular weight of 236.20 g/mol. Its IUPAC name is (2R,3S)-N-(2-bromoethyl)-N-ethyl-3-methylpentan-2-amine.

Molecular Properties

Compound Name(2R,3S)-N-(2-bromoethyl)-N-ethyl-3-methylpentan-2-amine
PubChem CID59895636
Molecular FormulaC10H22BrN
Molecular Weight236.20 g/mol
Exact Mass235.09
IUPAC Name(2R,3S)-N-(2-bromoethyl)-N-ethyl-3-methylpentan-2-amine
SMILESCC[C@H](C)[C@@H](C)N(CC)CCBr
InChIInChI=1S/C10H22BrN/c1-5-9(3)10(4)12(6-2)8-7-11/h9-10H,5-8H2,1-4H3/t9-,10+/m0/s1
InChIKeyCMTFXYMRZOOAGH-VHSXEESVSA-N
XLogP3.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
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 (2R,3S)-N-(2-bromoethyl)-N-ethyl-3-methylpentan-2-amine?
The IUPAC name of (2R,3S)-N-(2-bromoethyl)-N-ethyl-3-methylpentan-2-amine (CID 59895636) is (2R,3S)-N-(2-bromoethyl)-N-ethyl-3-methylpentan-2-amine.
What is the SMILES notation for (2R,3S)-N-(2-bromoethyl)-N-ethyl-3-methylpentan-2-amine?
The canonical SMILES for (2R,3S)-N-(2-bromoethyl)-N-ethyl-3-methylpentan-2-amine is CC[C@H](C)[C@@H](C)N(CC)CCBr.
What is the InChIKey of (2R,3S)-N-(2-bromoethyl)-N-ethyl-3-methylpentan-2-amine?
The InChIKey is CMTFXYMRZOOAGH-VHSXEESVSA-N. The full InChI is InChI=1S/C10H22BrN/c1-5-9(3)10(4)12(6-2)8-7-11/h9-10H,5-8H2,1-4H3/t9-,10+/m0/s1.
What are the key properties of (2R,3S)-N-(2-bromoethyl)-N-ethyl-3-methylpentan-2-amine?
(2R,3S)-N-(2-bromoethyl)-N-ethyl-3-methylpentan-2-amine has a molecular weight of 236.20 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(2-bromoethyl)-N-ethyl-3-methylpentan-2-amine is sourced from PubChem (CID 59895636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).