3,5-dibromopyrrolidin-2-amine

C4H8Br2N2 — CID 150457500

IUPAC3,5-dibromopyrrolidin-2-amine
SMILESNC1NC(Br)CC1Br
InChIInChI=1S/C4H8Br2N2/c5-2-1-3(6)8-4(2)7/h2-4,8H,1,7H2
InChIKeyHPBZVBMAGYCDCG-UHFFFAOYSA-N
MW243.93 g/mol
LogP0.75
Rot. Bonds

About 3,5-dibromopyrrolidin-2-amine

3,5-dibromopyrrolidin-2-amine (PubChem CID 150457500) has the molecular formula C4H8Br2N2 and a molecular weight of 243.93 g/mol. Its IUPAC name is 3,5-dibromopyrrolidin-2-amine.

Molecular Properties

Compound Name3,5-dibromopyrrolidin-2-amine
PubChem CID150457500
Molecular FormulaC4H8Br2N2
Molecular Weight243.93 g/mol
Exact Mass241.91
IUPAC Name3,5-dibromopyrrolidin-2-amine
SMILESNC1NC(Br)CC1Br
InChIInChI=1S/C4H8Br2N2/c5-2-1-3(6)8-4(2)7/h2-4,8H,1,7H2
InChIKeyHPBZVBMAGYCDCG-UHFFFAOYSA-N
XLogP0.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.93
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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7-azabicyclo[2.2.1]heptan-2-amine
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[(1R,2R)-2-bromocyclopropyl]methanamine
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trans-(1S,2S)-2-bromocyclopentan-1-amine
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4,5-dibromopyrazolidin-3-amine
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(1R,5R)-8-azabicyclo[3.2.1]octan-3-amine
CID 98048984
cis-(1S,2R)-2-bromocyclohexan-1-amine
CID 92968948
4-bromo-5-(4-bromophenyl)pyrazolidin-3-amine
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(1R,2R,5R,6S,10R)-1,2,5,6,9,10-hexabromocyclododecane
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2-bromocyclohexan-1-amine;hydrobromide
CID 71755398

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromopyrrolidin-2-amine?
The IUPAC name of 3,5-dibromopyrrolidin-2-amine (CID 150457500) is 3,5-dibromopyrrolidin-2-amine.
What is the SMILES notation for 3,5-dibromopyrrolidin-2-amine?
The canonical SMILES for 3,5-dibromopyrrolidin-2-amine is NC1NC(Br)CC1Br.
What is the InChIKey of 3,5-dibromopyrrolidin-2-amine?
The InChIKey is HPBZVBMAGYCDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Br2N2/c5-2-1-3(6)8-4(2)7/h2-4,8H,1,7H2.
What are the key properties of 3,5-dibromopyrrolidin-2-amine?
3,5-dibromopyrrolidin-2-amine has a molecular weight of 243.93 g/mol, XLogP of 0.75, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromopyrrolidin-2-amine is sourced from PubChem (CID 150457500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).