3-amino-1-methyl-1-(3-methylbutan-2-yl)-2-propan-2-ylguanidine

C10H24N4 — CID 104884044

IUPAC3-amino-1-methyl-1-(3-methylbutan-2-yl)-2-propan-2-ylguanidine
SMILESCC(C)/N=C(\NN)N(C)C(C)C(C)C
InChIInChI=1S/C10H24N4/c1-7(2)9(5)14(6)10(13-11)12-8(3)4/h7-9H,11H2,1-6H3,(H,12,13)
InChIKeyCFUOJAFPONJVEQ-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.19
Rot. Bonds3

About 3-amino-1-methyl-1-(3-methylbutan-2-yl)-2-propan-2-ylguanidine

3-amino-1-methyl-1-(3-methylbutan-2-yl)-2-propan-2-ylguanidine (PubChem CID 104884044) has the molecular formula C10H24N4 and a molecular weight of 200.33 g/mol. Its IUPAC name is 3-amino-1-methyl-1-(3-methylbutan-2-yl)-2-propan-2-ylguanidine.

Molecular Properties

Compound Name3-amino-1-methyl-1-(3-methylbutan-2-yl)-2-propan-2-ylguanidine
PubChem CID104884044
Molecular FormulaC10H24N4
Molecular Weight200.33 g/mol
Exact Mass200.20
IUPAC Name3-amino-1-methyl-1-(3-methylbutan-2-yl)-2-propan-2-ylguanidine
SMILESCC(C)/N=C(\NN)N(C)C(C)C(C)C
InChIInChI=1S/C10H24N4/c1-7(2)9(5)14(6)10(13-11)12-8(3)4/h7-9H,11H2,1-6H3,(H,12,13)
InChIKeyCFUOJAFPONJVEQ-UHFFFAOYSA-N
XLogP1.19
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.19
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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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-1-(3-methylbutan-2-yl)-2-propan-2-ylguanidine?
The IUPAC name of 3-amino-1-methyl-1-(3-methylbutan-2-yl)-2-propan-2-ylguanidine (CID 104884044) is 3-amino-1-methyl-1-(3-methylbutan-2-yl)-2-propan-2-ylguanidine.
What is the SMILES notation for 3-amino-1-methyl-1-(3-methylbutan-2-yl)-2-propan-2-ylguanidine?
The canonical SMILES for 3-amino-1-methyl-1-(3-methylbutan-2-yl)-2-propan-2-ylguanidine is CC(C)/N=C(\NN)N(C)C(C)C(C)C.
What is the InChIKey of 3-amino-1-methyl-1-(3-methylbutan-2-yl)-2-propan-2-ylguanidine?
The InChIKey is CFUOJAFPONJVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4/c1-7(2)9(5)14(6)10(13-11)12-8(3)4/h7-9H,11H2,1-6H3,(H,12,13).
What are the key properties of 3-amino-1-methyl-1-(3-methylbutan-2-yl)-2-propan-2-ylguanidine?
3-amino-1-methyl-1-(3-methylbutan-2-yl)-2-propan-2-ylguanidine has a molecular weight of 200.33 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-1-(3-methylbutan-2-yl)-2-propan-2-ylguanidine is sourced from PubChem (CID 104884044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).