N,N-dibenzyl-1-[(1R)-2,2-dibromocyclopropyl]methanamine

C18H19Br2N — CID 10938445

IUPACN,N-dibenzyl-1-[(1R)-2,2-dibromocyclopropyl]methanamine
SMILESBrC1(Br)C[C@@H]1CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H19Br2N/c19-18(20)11-17(18)14-21(12-15-7-3-1-4-8-15)13-16-9-5-2-6-10-16/h1-10,17H,11-14H2/t17-/m1/s1
InChIKeyHKJHWANEOWSXJR-QGZVFWFLSA-N
MW409.17 g/mol
LogP5.19
Rot. Bonds6

About N,N-dibenzyl-1-[(1R)-2,2-dibromocyclopropyl]methanamine

N,N-dibenzyl-1-[(1R)-2,2-dibromocyclopropyl]methanamine (PubChem CID 10938445) has the molecular formula C18H19Br2N and a molecular weight of 409.17 g/mol. Its IUPAC name is N,N-dibenzyl-1-[(1R)-2,2-dibromocyclopropyl]methanamine.

Molecular Properties

Compound NameN,N-dibenzyl-1-[(1R)-2,2-dibromocyclopropyl]methanamine
PubChem CID10938445
Molecular FormulaC18H19Br2N
Molecular Weight409.17 g/mol
Exact Mass406.99
IUPAC NameN,N-dibenzyl-1-[(1R)-2,2-dibromocyclopropyl]methanamine
SMILESBrC1(Br)C[C@@H]1CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H19Br2N/c19-18(20)11-17(18)14-21(12-15-7-3-1-4-8-15)13-16-9-5-2-6-10-16/h1-10,17H,11-14H2/t17-/m1/s1
InChIKeyHKJHWANEOWSXJR-QGZVFWFLSA-N
XLogP5.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.17
LogP ≤ 55.19
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 N,N-dibenzyl-1-[(1R)-2,2-dibromocyclopropyl]methanamine?
The IUPAC name of N,N-dibenzyl-1-[(1R)-2,2-dibromocyclopropyl]methanamine (CID 10938445) is N,N-dibenzyl-1-[(1R)-2,2-dibromocyclopropyl]methanamine.
What is the SMILES notation for N,N-dibenzyl-1-[(1R)-2,2-dibromocyclopropyl]methanamine?
The canonical SMILES for N,N-dibenzyl-1-[(1R)-2,2-dibromocyclopropyl]methanamine is BrC1(Br)C[C@@H]1CN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-1-[(1R)-2,2-dibromocyclopropyl]methanamine?
The InChIKey is HKJHWANEOWSXJR-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19Br2N/c19-18(20)11-17(18)14-21(12-15-7-3-1-4-8-15)13-16-9-5-2-6-10-16/h1-10,17H,11-14H2/t17-/m1/s1.
What are the key properties of N,N-dibenzyl-1-[(1R)-2,2-dibromocyclopropyl]methanamine?
N,N-dibenzyl-1-[(1R)-2,2-dibromocyclopropyl]methanamine has a molecular weight of 409.17 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-1-[(1R)-2,2-dibromocyclopropyl]methanamine is sourced from PubChem (CID 10938445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).