1-amino-2-methyl-3-(3-methyl-2-propan-2-ylbutyl)guanidine

C10H24N4 — CID 102909070

IUPAC1-amino-2-methyl-3-(3-methyl-2-propan-2-ylbutyl)guanidine
SMILESC/N=C(\NN)NCC(C(C)C)C(C)C
InChIInChI=1S/C10H24N4/c1-7(2)9(8(3)4)6-13-10(12-5)14-11/h7-9H,6,11H2,1-5H3,(H2,12,13,14)
InChIKeyAGGFMHYJCHIREM-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.95
Rot. Bonds4

About 1-amino-2-methyl-3-(3-methyl-2-propan-2-ylbutyl)guanidine

1-amino-2-methyl-3-(3-methyl-2-propan-2-ylbutyl)guanidine (PubChem CID 102909070) has the molecular formula C10H24N4 and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-amino-2-methyl-3-(3-methyl-2-propan-2-ylbutyl)guanidine.

Molecular Properties

Compound Name1-amino-2-methyl-3-(3-methyl-2-propan-2-ylbutyl)guanidine
PubChem CID102909070
Molecular FormulaC10H24N4
Molecular Weight200.33 g/mol
Exact Mass200.20
IUPAC Name1-amino-2-methyl-3-(3-methyl-2-propan-2-ylbutyl)guanidine
SMILESC/N=C(\NN)NCC(C(C)C)C(C)C
InChIInChI=1S/C10H24N4/c1-7(2)9(8(3)4)6-13-10(12-5)14-11/h7-9H,6,11H2,1-5H3,(H2,12,13,14)
InChIKeyAGGFMHYJCHIREM-UHFFFAOYSA-N
XLogP0.95
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.95
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-(3-methyl-2-propan-2-ylbutyl)guanidine?
The IUPAC name of 1-amino-2-methyl-3-(3-methyl-2-propan-2-ylbutyl)guanidine (CID 102909070) is 1-amino-2-methyl-3-(3-methyl-2-propan-2-ylbutyl)guanidine.
What is the SMILES notation for 1-amino-2-methyl-3-(3-methyl-2-propan-2-ylbutyl)guanidine?
The canonical SMILES for 1-amino-2-methyl-3-(3-methyl-2-propan-2-ylbutyl)guanidine is C/N=C(\NN)NCC(C(C)C)C(C)C.
What is the InChIKey of 1-amino-2-methyl-3-(3-methyl-2-propan-2-ylbutyl)guanidine?
The InChIKey is AGGFMHYJCHIREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4/c1-7(2)9(8(3)4)6-13-10(12-5)14-11/h7-9H,6,11H2,1-5H3,(H2,12,13,14).
What are the key properties of 1-amino-2-methyl-3-(3-methyl-2-propan-2-ylbutyl)guanidine?
1-amino-2-methyl-3-(3-methyl-2-propan-2-ylbutyl)guanidine has a molecular weight of 200.33 g/mol, XLogP of 0.95, 4 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-(3-methyl-2-propan-2-ylbutyl)guanidine is sourced from PubChem (CID 102909070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).