1-amino-3-(dimethylamino)-2-propan-2-ylguanidine

C6H17N5 — CID 104887914

IUPAC1-amino-3-(dimethylamino)-2-propan-2-ylguanidine
SMILESCC(C)/N=C(\NN)NN(C)C
InChIInChI=1S/C6H17N5/c1-5(2)8-6(9-7)10-11(3)4/h5H,7H2,1-4H3,(H2,8,9,10)
InChIKeyURRIWXJJOAKGJJ-UHFFFAOYSA-N
MW159.24 g/mol
LogP-0.72
Rot. Bonds2

About 1-amino-3-(dimethylamino)-2-propan-2-ylguanidine

1-amino-3-(dimethylamino)-2-propan-2-ylguanidine (PubChem CID 104887914) has the molecular formula C6H17N5 and a molecular weight of 159.24 g/mol. Its IUPAC name is 1-amino-3-(dimethylamino)-2-propan-2-ylguanidine.

Molecular Properties

Compound Name1-amino-3-(dimethylamino)-2-propan-2-ylguanidine
PubChem CID104887914
Molecular FormulaC6H17N5
Molecular Weight159.24 g/mol
Exact Mass159.15
IUPAC Name1-amino-3-(dimethylamino)-2-propan-2-ylguanidine
SMILESCC(C)/N=C(\NN)NN(C)C
InChIInChI=1S/C6H17N5/c1-5(2)8-6(9-7)10-11(3)4/h5H,7H2,1-4H3,(H2,8,9,10)
InChIKeyURRIWXJJOAKGJJ-UHFFFAOYSA-N
XLogP-0.72
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.24
LogP ≤ 5-0.72
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'}

Analyze 1-amino-3-(dimethylamino)-2-propan-2-ylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Amino-2-butylguanidine
CID 12228579
1-Amino-2-[3-(dimethylamino)propyl]guanidine
CID 13505257
1-Amino-2-propylguanidine
CID 18960704
1-Amino-2-cyclopropylguanidine
CID 22977243
1-Amino-2-propan-2-ylguanidine
CID 55281875
1-Amino-2-butan-2-ylguanidine
CID 64866029
1,3-Diamino-2-propylguanidine
CID 122541458
1-Amino-1-methyl-2-propan-2-ylguanidine
CID 123332022
1-(Methylamino)-2-propylguanidine
CID 123959912
1,1-Bis(methylamino)-2-propylguanidine
CID 140098336
1-Amino-2-propylguanidine;hydroiodide
CID 140266673
2-Amino-1-[methyl(propan-2-yl)amino]guanidine
CID 148387097

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(dimethylamino)-2-propan-2-ylguanidine?
The IUPAC name of 1-amino-3-(dimethylamino)-2-propan-2-ylguanidine (CID 104887914) is 1-amino-3-(dimethylamino)-2-propan-2-ylguanidine.
What is the SMILES notation for 1-amino-3-(dimethylamino)-2-propan-2-ylguanidine?
The canonical SMILES for 1-amino-3-(dimethylamino)-2-propan-2-ylguanidine is CC(C)/N=C(\NN)NN(C)C.
What is the InChIKey of 1-amino-3-(dimethylamino)-2-propan-2-ylguanidine?
The InChIKey is URRIWXJJOAKGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N5/c1-5(2)8-6(9-7)10-11(3)4/h5H,7H2,1-4H3,(H2,8,9,10).
What are the key properties of 1-amino-3-(dimethylamino)-2-propan-2-ylguanidine?
1-amino-3-(dimethylamino)-2-propan-2-ylguanidine has a molecular weight of 159.24 g/mol, XLogP of -0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(dimethylamino)-2-propan-2-ylguanidine is sourced from PubChem (CID 104887914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).