3-amino-1-butan-2-yl-1-methyl-2-(2-methylpropyl)guanidine

C10H24N4 — CID 104883606

IUPAC3-amino-1-butan-2-yl-1-methyl-2-(2-methylpropyl)guanidine
SMILESCCC(C)N(C)/C(=N/CC(C)C)NN
InChIInChI=1S/C10H24N4/c1-6-9(4)14(5)10(13-11)12-7-8(2)3/h8-9H,6-7,11H2,1-5H3,(H,12,13)
InChIKeyFNLXGBNUCGBXSQ-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.19
Rot. Bonds4

About 3-amino-1-butan-2-yl-1-methyl-2-(2-methylpropyl)guanidine

3-amino-1-butan-2-yl-1-methyl-2-(2-methylpropyl)guanidine (PubChem CID 104883606) has the molecular formula C10H24N4 and a molecular weight of 200.33 g/mol. Its IUPAC name is 3-amino-1-butan-2-yl-1-methyl-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name3-amino-1-butan-2-yl-1-methyl-2-(2-methylpropyl)guanidine
PubChem CID104883606
Molecular FormulaC10H24N4
Molecular Weight200.33 g/mol
Exact Mass200.20
IUPAC Name3-amino-1-butan-2-yl-1-methyl-2-(2-methylpropyl)guanidine
SMILESCCC(C)N(C)/C(=N/CC(C)C)NN
InChIInChI=1S/C10H24N4/c1-6-9(4)14(5)10(13-11)12-7-8(2)3/h8-9H,6-7,11H2,1-5H3,(H,12,13)
InChIKeyFNLXGBNUCGBXSQ-UHFFFAOYSA-N
XLogP1.19
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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'}

Analyze 3-amino-1-butan-2-yl-1-methyl-2-(2-methylpropyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-butan-2-yl-1-methyl-2-(2-methylpropyl)guanidine?
The IUPAC name of 3-amino-1-butan-2-yl-1-methyl-2-(2-methylpropyl)guanidine (CID 104883606) is 3-amino-1-butan-2-yl-1-methyl-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 3-amino-1-butan-2-yl-1-methyl-2-(2-methylpropyl)guanidine?
The canonical SMILES for 3-amino-1-butan-2-yl-1-methyl-2-(2-methylpropyl)guanidine is CCC(C)N(C)/C(=N/CC(C)C)NN.
What is the InChIKey of 3-amino-1-butan-2-yl-1-methyl-2-(2-methylpropyl)guanidine?
The InChIKey is FNLXGBNUCGBXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4/c1-6-9(4)14(5)10(13-11)12-7-8(2)3/h8-9H,6-7,11H2,1-5H3,(H,12,13).
What are the key properties of 3-amino-1-butan-2-yl-1-methyl-2-(2-methylpropyl)guanidine?
3-amino-1-butan-2-yl-1-methyl-2-(2-methylpropyl)guanidine has a molecular weight of 200.33 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-butan-2-yl-1-methyl-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 104883606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).