N-(2-bromo-3,3,3-trifluoropropyl)-N-(2-methylpropyl)cyclopropanamine

C10H17BrF3N — CID 64758757

IUPACN-(2-bromo-3,3,3-trifluoropropyl)-N-(2-methylpropyl)cyclopropanamine
SMILESCC(C)CN(CC(Br)C(F)(F)F)C1CC1
InChIInChI=1S/C10H17BrF3N/c1-7(2)5-15(8-3-4-8)6-9(11)10(12,13)14/h7-9H,3-6H2,1-2H3
InChIKeyHADCRWLYFSYDJE-UHFFFAOYSA-N
MW288.15 g/mol
LogP3.43
Rot. Bonds5

About N-(2-bromo-3,3,3-trifluoropropyl)-N-(2-methylpropyl)cyclopropanamine

N-(2-bromo-3,3,3-trifluoropropyl)-N-(2-methylpropyl)cyclopropanamine (PubChem CID 64758757) has the molecular formula C10H17BrF3N and a molecular weight of 288.15 g/mol. Its IUPAC name is N-(2-bromo-3,3,3-trifluoropropyl)-N-(2-methylpropyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-bromo-3,3,3-trifluoropropyl)-N-(2-methylpropyl)cyclopropanamine
PubChem CID64758757
Molecular FormulaC10H17BrF3N
Molecular Weight288.15 g/mol
Exact Mass287.05
IUPAC NameN-(2-bromo-3,3,3-trifluoropropyl)-N-(2-methylpropyl)cyclopropanamine
SMILESCC(C)CN(CC(Br)C(F)(F)F)C1CC1
InChIInChI=1S/C10H17BrF3N/c1-7(2)5-15(8-3-4-8)6-9(11)10(12,13)14/h7-9H,3-6H2,1-2H3
InChIKeyHADCRWLYFSYDJE-UHFFFAOYSA-N
XLogP3.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-bromo-3,3,3-trifluoropropyl)-cyclopentylamino]ethanol
CID 64758568
2-[[cyclopentyl(2-methylpropyl)amino]methyl]-3,3,3-trifluoropropanoic acid
CID 80997531
N-(2-bromo-3,3,3-trifluoropropyl)-N-ethyl-2-methylpropan-1-amine
CID 64757931
N-(2-bromo-3,3,3-trifluoropropyl)-N-(2-methylpropyl)pentan-3-amine
CID 79484154
2-[[cyclopentyl(2-methylpropyl)amino]methyl]-3,3,3-trifluoropropanimidamide
CID 103370793
N'-cyclopropyl-2-(2,2-dimethylpropyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 107473311
1-N-cyclopropyl-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine
CID 81101039
2-[cyclopropyl(2-methylpropyl)amino]acetonitrile
CID 60751428
N,N'-dicyclopropyl-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62429720
N,N-bis(2-methylpropyl)cyclopent-3-en-1-amine
CID 67454129
N'-cyclopropyl-N'-propyl-2-(trifluoromethyl)propane-1,3-diamine
CID 103366118
2-[[cyclopropyl(2-methylpropyl)amino]methyl]-2-ethylbutanal
CID 62276803

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3,3,3-trifluoropropyl)-N-(2-methylpropyl)cyclopropanamine?
The IUPAC name of N-(2-bromo-3,3,3-trifluoropropyl)-N-(2-methylpropyl)cyclopropanamine (CID 64758757) is N-(2-bromo-3,3,3-trifluoropropyl)-N-(2-methylpropyl)cyclopropanamine.
What is the SMILES notation for N-(2-bromo-3,3,3-trifluoropropyl)-N-(2-methylpropyl)cyclopropanamine?
The canonical SMILES for N-(2-bromo-3,3,3-trifluoropropyl)-N-(2-methylpropyl)cyclopropanamine is CC(C)CN(CC(Br)C(F)(F)F)C1CC1.
What is the InChIKey of N-(2-bromo-3,3,3-trifluoropropyl)-N-(2-methylpropyl)cyclopropanamine?
The InChIKey is HADCRWLYFSYDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrF3N/c1-7(2)5-15(8-3-4-8)6-9(11)10(12,13)14/h7-9H,3-6H2,1-2H3.
What are the key properties of N-(2-bromo-3,3,3-trifluoropropyl)-N-(2-methylpropyl)cyclopropanamine?
N-(2-bromo-3,3,3-trifluoropropyl)-N-(2-methylpropyl)cyclopropanamine has a molecular weight of 288.15 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3,3,3-trifluoropropyl)-N-(2-methylpropyl)cyclopropanamine is sourced from PubChem (CID 64758757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).