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

C8H20N4 — CID 103466912

IUPAC1-amino-3-(2,2-dimethylbutyl)-2-methylguanidine
SMILESCCC(C)(C)CN/C(=N/C)NN
InChIInChI=1S/C8H20N4/c1-5-8(2,3)6-11-7(10-4)12-9/h5-6,9H2,1-4H3,(H2,10,11,12)
InChIKeyZDENADBKKYFTOD-UHFFFAOYSA-N
MW172.28 g/mol
LogP0.46
Rot. Bonds3

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

1-amino-3-(2,2-dimethylbutyl)-2-methylguanidine (PubChem CID 103466912) has the molecular formula C8H20N4 and a molecular weight of 172.28 g/mol. Its IUPAC name is 1-amino-3-(2,2-dimethylbutyl)-2-methylguanidine.

Molecular Properties

Compound Name1-amino-3-(2,2-dimethylbutyl)-2-methylguanidine
PubChem CID103466912
Molecular FormulaC8H20N4
Molecular Weight172.28 g/mol
Exact Mass172.17
IUPAC Name1-amino-3-(2,2-dimethylbutyl)-2-methylguanidine
SMILESCCC(C)(C)CN/C(=N/C)NN
InChIInChI=1S/C8H20N4/c1-5-8(2,3)6-11-7(10-4)12-9/h5-6,9H2,1-4H3,(H2,10,11,12)
InChIKeyZDENADBKKYFTOD-UHFFFAOYSA-N
XLogP0.46
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.28
LogP ≤ 50.46
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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Related Compounds

1-amino-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine
CID 104882473
1-amino-3-[[(1R,2R)-2-ethylcyclopropyl]methyl]-2-methylguanidine
CID 130948883
1-amino-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 104882192
3-amino-N-(2,2-dimethylbutyl)-2-hydroxypropanamide
CID 115180877
1-amino-3-(2-ethoxypropyl)-2-methylguanidine
CID 104882468
3-amino-N-(2,2-dimethylbutyl)-2,2,3-trimethylbutanamide
CID 103461615
1-(2,2-dimethylbutyl)-3-ethylthiourea
CID 103461015
2-amino-N-(2,2-dimethylbutyl)butanamide
CID 103461499
N-(2-aminoethyl)-N'-(2,2-dimethylbutyl)oxamide
CID 103460009
1-amino-3-(2-methoxypropyl)-2-methylguanidine
CID 102702160
1-amino-2-methyl-3-(3-methylsulfanylpropyl)guanidine
CID 104882256
[(2-aminoethylamino)-(2,2-dimethylbutylamino)methylidene]tungsten
CID 145230115

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2,2-dimethylbutyl)-2-methylguanidine?
The IUPAC name of 1-amino-3-(2,2-dimethylbutyl)-2-methylguanidine (CID 103466912) is 1-amino-3-(2,2-dimethylbutyl)-2-methylguanidine.
What is the SMILES notation for 1-amino-3-(2,2-dimethylbutyl)-2-methylguanidine?
The canonical SMILES for 1-amino-3-(2,2-dimethylbutyl)-2-methylguanidine is CCC(C)(C)CN/C(=N/C)NN.
What is the InChIKey of 1-amino-3-(2,2-dimethylbutyl)-2-methylguanidine?
The InChIKey is ZDENADBKKYFTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4/c1-5-8(2,3)6-11-7(10-4)12-9/h5-6,9H2,1-4H3,(H2,10,11,12).
What are the key properties of 1-amino-3-(2,2-dimethylbutyl)-2-methylguanidine?
1-amino-3-(2,2-dimethylbutyl)-2-methylguanidine has a molecular weight of 172.28 g/mol, XLogP of 0.46, 3 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-dimethylbutyl)-2-methylguanidine is sourced from PubChem (CID 103466912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).