N-benzyl-N-(3-bromo-2,2-dimethylpropyl)cyclopropanamine

C15H22BrN — CID 131010599

IUPACN-benzyl-N-(3-bromo-2,2-dimethylpropyl)cyclopropanamine
SMILESCC(C)(CBr)CN(Cc1ccccc1)C1CC1
InChIInChI=1S/C15H22BrN/c1-15(2,11-16)12-17(14-8-9-14)10-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3
InChIKeyBJWYGUNXARXDNH-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.07
Rot. Bonds6

About N-benzyl-N-(3-bromo-2,2-dimethylpropyl)cyclopropanamine

N-benzyl-N-(3-bromo-2,2-dimethylpropyl)cyclopropanamine (PubChem CID 131010599) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is N-benzyl-N-(3-bromo-2,2-dimethylpropyl)cyclopropanamine.

Molecular Properties

Compound NameN-benzyl-N-(3-bromo-2,2-dimethylpropyl)cyclopropanamine
PubChem CID131010599
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC NameN-benzyl-N-(3-bromo-2,2-dimethylpropyl)cyclopropanamine
SMILESCC(C)(CBr)CN(Cc1ccccc1)C1CC1
InChIInChI=1S/C15H22BrN/c1-15(2,11-16)12-17(14-8-9-14)10-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3
InChIKeyBJWYGUNXARXDNH-UHFFFAOYSA-N
XLogP4.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 54.07
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

1-[benzyl(cyclopropyl)amino]-2-methylbutan-2-ol
CID 130952113
N-benzyl-3-bromo-N,2,2-trimethylpropan-1-amine
CID 65000908
N,N-dibenzylcyclobutanamine
CID 70822586
2-[(3-bromo-2,2-dimethylpropyl)-cyclopropylamino]ethanol
CID 64997494
N-benzyl-N,4-dimethylcyclohexan-1-amine;ethane
CID 161499393
N-[[4-(aminomethyl)phenyl]methyl]-N-benzylcyclopropanamine
CID 43575847
N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine;ethane
CID 144654857
2-[(1S,3S)-3-(dibenzylamino)cyclopentyl]propan-2-ol
CID 71227791
N-benzyl-4-tert-butyl-N-[(3,5-dichlorophenyl)methyl]cyclohexan-1-amine
CID 141030216
(R)-cyclopropyl-[4-(dibenzylamino)cyclohexyl]methanol
CID 59401599
cis-(1R,3S)-N,N-dibenzyl-3-methylcyclopentan-1-amine
CID 89453072
(1S)-1-[4-(dibenzylamino)cyclohexyl]ethanol
CID 155786495

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(3-bromo-2,2-dimethylpropyl)cyclopropanamine?
The IUPAC name of N-benzyl-N-(3-bromo-2,2-dimethylpropyl)cyclopropanamine (CID 131010599) is N-benzyl-N-(3-bromo-2,2-dimethylpropyl)cyclopropanamine.
What is the SMILES notation for N-benzyl-N-(3-bromo-2,2-dimethylpropyl)cyclopropanamine?
The canonical SMILES for N-benzyl-N-(3-bromo-2,2-dimethylpropyl)cyclopropanamine is CC(C)(CBr)CN(Cc1ccccc1)C1CC1.
What is the InChIKey of N-benzyl-N-(3-bromo-2,2-dimethylpropyl)cyclopropanamine?
The InChIKey is BJWYGUNXARXDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-15(2,11-16)12-17(14-8-9-14)10-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3.
What are the key properties of N-benzyl-N-(3-bromo-2,2-dimethylpropyl)cyclopropanamine?
N-benzyl-N-(3-bromo-2,2-dimethylpropyl)cyclopropanamine has a molecular weight of 296.25 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(3-bromo-2,2-dimethylpropyl)cyclopropanamine is sourced from PubChem (CID 131010599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).