3-aminocyclopentane-1-carbonitrile;hydrobromide

C6H11BrN2 — CID 134819024

IUPAC3-aminocyclopentane-1-carbonitrile;hydrobromide
SMILESBr.N#CC1CCC(N)C1
InChIInChI=1S/C6H10N2.BrH/c7-4-5-1-2-6(8)3-5;/h5-6H,1-3,8H2;1H
InChIKeyDUBXQERMGAOQLE-UHFFFAOYSA-N
MW191.07 g/mol
LogP1.22
Rot. Bonds

About 3-aminocyclopentane-1-carbonitrile;hydrobromide

3-aminocyclopentane-1-carbonitrile;hydrobromide (PubChem CID 134819024) has the molecular formula C6H11BrN2 and a molecular weight of 191.07 g/mol. Its IUPAC name is 3-aminocyclopentane-1-carbonitrile;hydrobromide.

Molecular Properties

Compound Name3-aminocyclopentane-1-carbonitrile;hydrobromide
PubChem CID134819024
Molecular FormulaC6H11BrN2
Molecular Weight191.07 g/mol
Exact Mass190.01
IUPAC Name3-aminocyclopentane-1-carbonitrile;hydrobromide
SMILESBr.N#CC1CCC(N)C1
InChIInChI=1S/C6H10N2.BrH/c7-4-5-1-2-6(8)3-5;/h5-6H,1-3,8H2;1H
InChIKeyDUBXQERMGAOQLE-UHFFFAOYSA-N
XLogP1.22
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.07
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-aminocyclopentane-1-carbonitrile;hydrobromide?
The IUPAC name of 3-aminocyclopentane-1-carbonitrile;hydrobromide (CID 134819024) is 3-aminocyclopentane-1-carbonitrile;hydrobromide.
What is the SMILES notation for 3-aminocyclopentane-1-carbonitrile;hydrobromide?
The canonical SMILES for 3-aminocyclopentane-1-carbonitrile;hydrobromide is Br.N#CC1CCC(N)C1.
What is the InChIKey of 3-aminocyclopentane-1-carbonitrile;hydrobromide?
The InChIKey is DUBXQERMGAOQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.BrH/c7-4-5-1-2-6(8)3-5;/h5-6H,1-3,8H2;1H.
What are the key properties of 3-aminocyclopentane-1-carbonitrile;hydrobromide?
3-aminocyclopentane-1-carbonitrile;hydrobromide has a molecular weight of 191.07 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminocyclopentane-1-carbonitrile;hydrobromide is sourced from PubChem (CID 134819024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).