1-amino-3-(2,2-dimethylpropyl)-2-methylguanidine

C7H18N4 — CID 104882052

IUPAC1-amino-3-(2,2-dimethylpropyl)-2-methylguanidine
SMILESC/N=C(\NN)NCC(C)(C)C
InChIInChI=1S/C7H18N4/c1-7(2,3)5-10-6(9-4)11-8/h5,8H2,1-4H3,(H2,9,10,11)
InChIKeyPFJXQVPLNIRSAZ-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.07
Rot. Bonds1

About 1-amino-3-(2,2-dimethylpropyl)-2-methylguanidine

1-amino-3-(2,2-dimethylpropyl)-2-methylguanidine (PubChem CID 104882052) has the molecular formula C7H18N4 and a molecular weight of 158.25 g/mol. Its IUPAC name is 1-amino-3-(2,2-dimethylpropyl)-2-methylguanidine.

Molecular Properties

Compound Name1-amino-3-(2,2-dimethylpropyl)-2-methylguanidine
PubChem CID104882052
Molecular FormulaC7H18N4
Molecular Weight158.25 g/mol
Exact Mass158.15
IUPAC Name1-amino-3-(2,2-dimethylpropyl)-2-methylguanidine
SMILESC/N=C(\NN)NCC(C)(C)C
InChIInChI=1S/C7H18N4/c1-7(2,3)5-10-6(9-4)11-8/h5,8H2,1-4H3,(H2,9,10,11)
InChIKeyPFJXQVPLNIRSAZ-UHFFFAOYSA-N
XLogP0.07
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-3-(2,2-dimethylpropyl)-2-methylguanidine?
The IUPAC name of 1-amino-3-(2,2-dimethylpropyl)-2-methylguanidine (CID 104882052) is 1-amino-3-(2,2-dimethylpropyl)-2-methylguanidine.
What is the SMILES notation for 1-amino-3-(2,2-dimethylpropyl)-2-methylguanidine?
The canonical SMILES for 1-amino-3-(2,2-dimethylpropyl)-2-methylguanidine is C/N=C(\NN)NCC(C)(C)C.
What is the InChIKey of 1-amino-3-(2,2-dimethylpropyl)-2-methylguanidine?
The InChIKey is PFJXQVPLNIRSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4/c1-7(2,3)5-10-6(9-4)11-8/h5,8H2,1-4H3,(H2,9,10,11).
What are the key properties of 1-amino-3-(2,2-dimethylpropyl)-2-methylguanidine?
1-amino-3-(2,2-dimethylpropyl)-2-methylguanidine has a molecular weight of 158.25 g/mol, XLogP of 0.07, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2,2-dimethylpropyl)-2-methylguanidine is sourced from PubChem (CID 104882052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).