1-amino-2-[3-(dimethylamino)-2,2-dimethylpropyl]guanidine;dihydrobromide

C8H23Br2N5 — CID 14750563

IUPAC1-amino-2-[3-(dimethylamino)-2,2-dimethylpropyl]guanidine;dihydrobromide
SMILESBr.Br.CN(C)CC(C)(C)C/N=C(\N)NN
InChIInChI=1S/C8H21N5.2BrH/c1-8(2,6-13(3)4)5-11-7(9)12-10;;/h5-6,10H2,1-4H3,(H3,9,11,12);2*1H
InChIKeyZDDKYSBYCRNNJM-UHFFFAOYSA-N
MW349.12 g/mol
LogP0.51
Rot. Bonds4

About 1-amino-2-[3-(dimethylamino)-2,2-dimethylpropyl]guanidine;dihydrobromide

1-amino-2-[3-(dimethylamino)-2,2-dimethylpropyl]guanidine;dihydrobromide (PubChem CID 14750563) has the molecular formula C8H23Br2N5 and a molecular weight of 349.12 g/mol. Its IUPAC name is 1-amino-2-[3-(dimethylamino)-2,2-dimethylpropyl]guanidine;dihydrobromide.

Molecular Properties

Compound Name1-amino-2-[3-(dimethylamino)-2,2-dimethylpropyl]guanidine;dihydrobromide
PubChem CID14750563
Molecular FormulaC8H23Br2N5
Molecular Weight349.12 g/mol
Exact Mass347.03
IUPAC Name1-amino-2-[3-(dimethylamino)-2,2-dimethylpropyl]guanidine;dihydrobromide
SMILESBr.Br.CN(C)CC(C)(C)C/N=C(\N)NN
InChIInChI=1S/C8H21N5.2BrH/c1-8(2,6-13(3)4)5-11-7(9)12-10;;/h5-6,10H2,1-4H3,(H3,9,11,12);2*1H
InChIKeyZDDKYSBYCRNNJM-UHFFFAOYSA-N
XLogP0.51
TPSA79.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.12
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[3-(dimethylamino)-2,2-dimethylpropyl]guanidine;dihydrobromide?
The IUPAC name of 1-amino-2-[3-(dimethylamino)-2,2-dimethylpropyl]guanidine;dihydrobromide (CID 14750563) is 1-amino-2-[3-(dimethylamino)-2,2-dimethylpropyl]guanidine;dihydrobromide.
What is the SMILES notation for 1-amino-2-[3-(dimethylamino)-2,2-dimethylpropyl]guanidine;dihydrobromide?
The canonical SMILES for 1-amino-2-[3-(dimethylamino)-2,2-dimethylpropyl]guanidine;dihydrobromide is Br.Br.CN(C)CC(C)(C)C/N=C(\N)NN.
What is the InChIKey of 1-amino-2-[3-(dimethylamino)-2,2-dimethylpropyl]guanidine;dihydrobromide?
The InChIKey is ZDDKYSBYCRNNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N5.2BrH/c1-8(2,6-13(3)4)5-11-7(9)12-10;;/h5-6,10H2,1-4H3,(H3,9,11,12);2*1H.
What are the key properties of 1-amino-2-[3-(dimethylamino)-2,2-dimethylpropyl]guanidine;dihydrobromide?
1-amino-2-[3-(dimethylamino)-2,2-dimethylpropyl]guanidine;dihydrobromide has a molecular weight of 349.12 g/mol, XLogP of 0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[3-(dimethylamino)-2,2-dimethylpropyl]guanidine;dihydrobromide is sourced from PubChem (CID 14750563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).