2-amino-1-methyl-1-(4-methylpentan-2-yl)guanidine

C8H20N4 — CID 77054044

IUPAC2-amino-1-methyl-1-(4-methylpentan-2-yl)guanidine
SMILESCC(C)CC(C)N(C)C(N)=NN
InChIInChI=1S/C8H20N4/c1-6(2)5-7(3)12(4)8(9)11-10/h6-7H,5,10H2,1-4H3,(H2,9,11)
InChIKeyJMSMQPIUNUSVTQ-UHFFFAOYSA-N
MW172.28 g/mol
LogP0.54
Rot. Bonds3

About 2-amino-1-methyl-1-(4-methylpentan-2-yl)guanidine

2-amino-1-methyl-1-(4-methylpentan-2-yl)guanidine (PubChem CID 77054044) has the molecular formula C8H20N4 and a molecular weight of 172.28 g/mol. Its IUPAC name is 2-amino-1-methyl-1-(4-methylpentan-2-yl)guanidine.

Molecular Properties

Compound Name2-amino-1-methyl-1-(4-methylpentan-2-yl)guanidine
PubChem CID77054044
Molecular FormulaC8H20N4
Molecular Weight172.28 g/mol
Exact Mass172.17
IUPAC Name2-amino-1-methyl-1-(4-methylpentan-2-yl)guanidine
SMILESCC(C)CC(C)N(C)C(N)=NN
InChIInChI=1S/C8H20N4/c1-6(2)5-7(3)12(4)8(9)11-10/h6-7H,5,10H2,1-4H3,(H2,9,11)
InChIKeyJMSMQPIUNUSVTQ-UHFFFAOYSA-N
XLogP0.54
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.28
LogP ≤ 50.54
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 2-amino-1-methyl-1-(4-methylpentan-2-yl)guanidine?
The IUPAC name of 2-amino-1-methyl-1-(4-methylpentan-2-yl)guanidine (CID 77054044) is 2-amino-1-methyl-1-(4-methylpentan-2-yl)guanidine.
What is the SMILES notation for 2-amino-1-methyl-1-(4-methylpentan-2-yl)guanidine?
The canonical SMILES for 2-amino-1-methyl-1-(4-methylpentan-2-yl)guanidine is CC(C)CC(C)N(C)C(N)=NN.
What is the InChIKey of 2-amino-1-methyl-1-(4-methylpentan-2-yl)guanidine?
The InChIKey is JMSMQPIUNUSVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4/c1-6(2)5-7(3)12(4)8(9)11-10/h6-7H,5,10H2,1-4H3,(H2,9,11).
What are the key properties of 2-amino-1-methyl-1-(4-methylpentan-2-yl)guanidine?
2-amino-1-methyl-1-(4-methylpentan-2-yl)guanidine has a molecular weight of 172.28 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-methyl-1-(4-methylpentan-2-yl)guanidine is sourced from PubChem (CID 77054044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).