3-amino-1-(3,3-dimethylbutan-2-yl)-1,2-dimethylguanidine

C9H22N4 — CID 104882062

IUPAC3-amino-1-(3,3-dimethylbutan-2-yl)-1,2-dimethylguanidine
SMILESC/N=C(\NN)N(C)C(C)C(C)(C)C
InChIInChI=1S/C9H22N4/c1-7(9(2,3)4)13(6)8(11-5)12-10/h7H,10H2,1-6H3,(H,11,12)
InChIKeyMAQFTVJZFZUIMO-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.80
Rot. Bonds1

About 3-amino-1-(3,3-dimethylbutan-2-yl)-1,2-dimethylguanidine

3-amino-1-(3,3-dimethylbutan-2-yl)-1,2-dimethylguanidine (PubChem CID 104882062) has the molecular formula C9H22N4 and a molecular weight of 186.30 g/mol. Its IUPAC name is 3-amino-1-(3,3-dimethylbutan-2-yl)-1,2-dimethylguanidine.

Molecular Properties

Compound Name3-amino-1-(3,3-dimethylbutan-2-yl)-1,2-dimethylguanidine
PubChem CID104882062
Molecular FormulaC9H22N4
Molecular Weight186.30 g/mol
Exact Mass186.18
IUPAC Name3-amino-1-(3,3-dimethylbutan-2-yl)-1,2-dimethylguanidine
SMILESC/N=C(\NN)N(C)C(C)C(C)(C)C
InChIInChI=1S/C9H22N4/c1-7(9(2,3)4)13(6)8(11-5)12-10/h7H,10H2,1-6H3,(H,11,12)
InChIKeyMAQFTVJZFZUIMO-UHFFFAOYSA-N
XLogP0.80
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.80
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-cyclopentyl-1-(3,3-dimethylbutan-2-yl)-1-methylguanidine
CID 104884499
3-amino-1,2-dimethyl-1-(4-methylsulfanylbutan-2-yl)guanidine
CID 104882488
3-amino-1-methyl-1-(3-methylbutan-2-yl)-2-propan-2-ylguanidine
CID 104884044
2-[3,3-dimethylbutan-2-yl(methyl)amino]-3-methylbutanehydrazide
CID 63584854
1-(3,3-dimethylbutan-2-yl)-1,3-dimethylurea
CID 115578826
3-amino-1,2-dimethyl-1-(2-propan-2-yloxyethyl)guanidine
CID 104882358
N-(3,3-dimethylbutan-2-yl)-N-methylcarbamoyl chloride
CID 79887073
2-cyclopropyl-1-(3,3-dimethylbutan-2-yl)-1-methylguanidine
CID 62362582
2-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylpropanamide
CID 60948231
3-amino-1,1-dimethyl-2-(2-methylpropyl)guanidine
CID 104883395
3-amino-1-butan-2-yl-1-methyl-2-(2-methylpropyl)guanidine
CID 104883606
(2S)-2-amino-N-[2-[3,3-dimethylbutan-2-yl(methyl)amino]-2-oxoethyl]-3-methylbutanamide
CID 82962169

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3,3-dimethylbutan-2-yl)-1,2-dimethylguanidine?
The IUPAC name of 3-amino-1-(3,3-dimethylbutan-2-yl)-1,2-dimethylguanidine (CID 104882062) is 3-amino-1-(3,3-dimethylbutan-2-yl)-1,2-dimethylguanidine.
What is the SMILES notation for 3-amino-1-(3,3-dimethylbutan-2-yl)-1,2-dimethylguanidine?
The canonical SMILES for 3-amino-1-(3,3-dimethylbutan-2-yl)-1,2-dimethylguanidine is C/N=C(\NN)N(C)C(C)C(C)(C)C.
What is the InChIKey of 3-amino-1-(3,3-dimethylbutan-2-yl)-1,2-dimethylguanidine?
The InChIKey is MAQFTVJZFZUIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4/c1-7(9(2,3)4)13(6)8(11-5)12-10/h7H,10H2,1-6H3,(H,11,12).
What are the key properties of 3-amino-1-(3,3-dimethylbutan-2-yl)-1,2-dimethylguanidine?
3-amino-1-(3,3-dimethylbutan-2-yl)-1,2-dimethylguanidine has a molecular weight of 186.30 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3,3-dimethylbutan-2-yl)-1,2-dimethylguanidine is sourced from PubChem (CID 104882062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).