3-amino-1,2-dimethyl-1-(3-methylbutan-2-yl)guanidine

C8H20N4 — CID 104882019

IUPAC3-amino-1,2-dimethyl-1-(3-methylbutan-2-yl)guanidine
SMILESC/N=C(\NN)N(C)C(C)C(C)C
InChIInChI=1S/C8H20N4/c1-6(2)7(3)12(5)8(10-4)11-9/h6-7H,9H2,1-5H3,(H,10,11)
InChIKeyVACJEQWJAQLQRA-UHFFFAOYSA-N
MW172.28 g/mol
LogP0.41
Rot. Bonds2

About 3-amino-1,2-dimethyl-1-(3-methylbutan-2-yl)guanidine

3-amino-1,2-dimethyl-1-(3-methylbutan-2-yl)guanidine (PubChem CID 104882019) has the molecular formula C8H20N4 and a molecular weight of 172.28 g/mol. Its IUPAC name is 3-amino-1,2-dimethyl-1-(3-methylbutan-2-yl)guanidine.

Molecular Properties

Compound Name3-amino-1,2-dimethyl-1-(3-methylbutan-2-yl)guanidine
PubChem CID104882019
Molecular FormulaC8H20N4
Molecular Weight172.28 g/mol
Exact Mass172.17
IUPAC Name3-amino-1,2-dimethyl-1-(3-methylbutan-2-yl)guanidine
SMILESC/N=C(\NN)N(C)C(C)C(C)C
InChIInChI=1S/C8H20N4/c1-6(2)7(3)12(5)8(10-4)11-9/h6-7H,9H2,1-5H3,(H,10,11)
InChIKeyVACJEQWJAQLQRA-UHFFFAOYSA-N
XLogP0.41
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.28
LogP ≤ 50.41
H-Bond Donors ≤ 52
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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Related Compounds

3-Amino-2-(2-methylpropyl)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884429
3-Amino-1-methyl-2-propan-2-yl-1-(3,3,3-trifluoropropyl)guanidine
CID 104887042
3-Amino-1-methyl-2-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)guanidine
CID 104887043
3-Amino-2-cyclopropyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine
CID 102999142
3-Amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-propan-2-ylguanidine
CID 102999144
3-Amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(2-methylpropyl)guanidine
CID 102999148
3-Amino-2-cyclopropyl-1-[3-(diethylamino)propyl]-1-ethylguanidine
CID 102999153
3-Amino-1-[3-(diethylamino)propyl]-1-ethyl-2-propan-2-ylguanidine
CID 102999157
3-Amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-(2-methylpropyl)guanidine
CID 103192659
3-Amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-methylguanidine
CID 103192661
3-Amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-propylguanidine
CID 103192663
3-Amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-propan-2-ylguanidine
CID 103192665

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,2-dimethyl-1-(3-methylbutan-2-yl)guanidine?
The IUPAC name of 3-amino-1,2-dimethyl-1-(3-methylbutan-2-yl)guanidine (CID 104882019) is 3-amino-1,2-dimethyl-1-(3-methylbutan-2-yl)guanidine.
What is the SMILES notation for 3-amino-1,2-dimethyl-1-(3-methylbutan-2-yl)guanidine?
The canonical SMILES for 3-amino-1,2-dimethyl-1-(3-methylbutan-2-yl)guanidine is C/N=C(\NN)N(C)C(C)C(C)C.
What is the InChIKey of 3-amino-1,2-dimethyl-1-(3-methylbutan-2-yl)guanidine?
The InChIKey is VACJEQWJAQLQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4/c1-6(2)7(3)12(5)8(10-4)11-9/h6-7H,9H2,1-5H3,(H,10,11).
What are the key properties of 3-amino-1,2-dimethyl-1-(3-methylbutan-2-yl)guanidine?
3-amino-1,2-dimethyl-1-(3-methylbutan-2-yl)guanidine has a molecular weight of 172.28 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,2-dimethyl-1-(3-methylbutan-2-yl)guanidine is sourced from PubChem (CID 104882019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).