N,N-dibenzyl-3-bromo-3-methylcyclopentan-1-amine

C20H24BrN — CID 175131150

IUPACN,N-dibenzyl-3-bromo-3-methylcyclopentan-1-amine
SMILESCC1(Br)CCC(N(Cc2ccccc2)Cc2ccccc2)C1
InChIInChI=1S/C20H24BrN/c1-20(21)13-12-19(14-20)22(15-17-8-4-2-5-9-17)16-18-10-6-3-7-11-18/h2-11,19H,12-16H2,1H3
InChIKeyPFLNXHDJAXNVRU-UHFFFAOYSA-N
MW358.32 g/mol
LogP5.39
Rot. Bonds5

About N,N-dibenzyl-3-bromo-3-methylcyclopentan-1-amine

N,N-dibenzyl-3-bromo-3-methylcyclopentan-1-amine (PubChem CID 175131150) has the molecular formula C20H24BrN and a molecular weight of 358.32 g/mol. Its IUPAC name is N,N-dibenzyl-3-bromo-3-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN,N-dibenzyl-3-bromo-3-methylcyclopentan-1-amine
PubChem CID175131150
Molecular FormulaC20H24BrN
Molecular Weight358.32 g/mol
Exact Mass357.11
IUPAC NameN,N-dibenzyl-3-bromo-3-methylcyclopentan-1-amine
SMILESCC1(Br)CCC(N(Cc2ccccc2)Cc2ccccc2)C1
InChIInChI=1S/C20H24BrN/c1-20(21)13-12-19(14-20)22(15-17-8-4-2-5-9-17)16-18-10-6-3-7-11-18/h2-11,19H,12-16H2,1H3
InChIKeyPFLNXHDJAXNVRU-UHFFFAOYSA-N
XLogP5.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.32
LogP ≤ 55.39
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-3-bromo-3-methylcyclopentan-1-amine?
The IUPAC name of N,N-dibenzyl-3-bromo-3-methylcyclopentan-1-amine (CID 175131150) is N,N-dibenzyl-3-bromo-3-methylcyclopentan-1-amine.
What is the SMILES notation for N,N-dibenzyl-3-bromo-3-methylcyclopentan-1-amine?
The canonical SMILES for N,N-dibenzyl-3-bromo-3-methylcyclopentan-1-amine is CC1(Br)CCC(N(Cc2ccccc2)Cc2ccccc2)C1.
What is the InChIKey of N,N-dibenzyl-3-bromo-3-methylcyclopentan-1-amine?
The InChIKey is PFLNXHDJAXNVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN/c1-20(21)13-12-19(14-20)22(15-17-8-4-2-5-9-17)16-18-10-6-3-7-11-18/h2-11,19H,12-16H2,1H3.
What are the key properties of N,N-dibenzyl-3-bromo-3-methylcyclopentan-1-amine?
N,N-dibenzyl-3-bromo-3-methylcyclopentan-1-amine has a molecular weight of 358.32 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-3-bromo-3-methylcyclopentan-1-amine is sourced from PubChem (CID 175131150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).