1-amino-2-methyl-3-(4-methylpentan-2-yl)guanidine

C8H20N4 — CID 104881993

IUPAC1-amino-2-methyl-3-(4-methylpentan-2-yl)guanidine
SMILESC/N=C(\NN)NC(C)CC(C)C
InChIInChI=1S/C8H20N4/c1-6(2)5-7(3)11-8(10-4)12-9/h6-7H,5,9H2,1-4H3,(H2,10,11,12)
InChIKeyQPBMEBXQHYTTPE-UHFFFAOYSA-N
MW172.28 g/mol
LogP0.46
Rot. Bonds3

About 1-amino-2-methyl-3-(4-methylpentan-2-yl)guanidine

1-amino-2-methyl-3-(4-methylpentan-2-yl)guanidine (PubChem CID 104881993) has the molecular formula C8H20N4 and a molecular weight of 172.28 g/mol. Its IUPAC name is 1-amino-2-methyl-3-(4-methylpentan-2-yl)guanidine.

Molecular Properties

Compound Name1-amino-2-methyl-3-(4-methylpentan-2-yl)guanidine
PubChem CID104881993
Molecular FormulaC8H20N4
Molecular Weight172.28 g/mol
Exact Mass172.17
IUPAC Name1-amino-2-methyl-3-(4-methylpentan-2-yl)guanidine
SMILESC/N=C(\NN)NC(C)CC(C)C
InChIInChI=1S/C8H20N4/c1-6(2)5-7(3)11-8(10-4)12-9/h6-7H,5,9H2,1-4H3,(H2,10,11,12)
InChIKeyQPBMEBXQHYTTPE-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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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-3-(4-methylpentan-2-yl)guanidine?
The IUPAC name of 1-amino-2-methyl-3-(4-methylpentan-2-yl)guanidine (CID 104881993) is 1-amino-2-methyl-3-(4-methylpentan-2-yl)guanidine.
What is the SMILES notation for 1-amino-2-methyl-3-(4-methylpentan-2-yl)guanidine?
The canonical SMILES for 1-amino-2-methyl-3-(4-methylpentan-2-yl)guanidine is C/N=C(\NN)NC(C)CC(C)C.
What is the InChIKey of 1-amino-2-methyl-3-(4-methylpentan-2-yl)guanidine?
The InChIKey is QPBMEBXQHYTTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4/c1-6(2)5-7(3)11-8(10-4)12-9/h6-7H,5,9H2,1-4H3,(H2,10,11,12).
What are the key properties of 1-amino-2-methyl-3-(4-methylpentan-2-yl)guanidine?
1-amino-2-methyl-3-(4-methylpentan-2-yl)guanidine 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-2-methyl-3-(4-methylpentan-2-yl)guanidine is sourced from PubChem (CID 104881993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).