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

C11H26N4 — CID 102909073

IUPAC1-amino-3-ethyl-2-(3-methyl-2-propan-2-ylbutyl)guanidine
SMILESCCN/C(=N\CC(C(C)C)C(C)C)NN
InChIInChI=1S/C11H26N4/c1-6-13-11(15-12)14-7-10(8(2)3)9(4)5/h8-10H,6-7,12H2,1-5H3,(H2,13,14,15)
InChIKeyZKLULOXSWXDPOF-UHFFFAOYSA-N
MW214.36 g/mol
LogP1.34
Rot. Bonds5

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

1-amino-3-ethyl-2-(3-methyl-2-propan-2-ylbutyl)guanidine (PubChem CID 102909073) has the molecular formula C11H26N4 and a molecular weight of 214.36 g/mol. Its IUPAC name is 1-amino-3-ethyl-2-(3-methyl-2-propan-2-ylbutyl)guanidine.

Molecular Properties

Compound Name1-amino-3-ethyl-2-(3-methyl-2-propan-2-ylbutyl)guanidine
PubChem CID102909073
Molecular FormulaC11H26N4
Molecular Weight214.36 g/mol
Exact Mass214.22
IUPAC Name1-amino-3-ethyl-2-(3-methyl-2-propan-2-ylbutyl)guanidine
SMILESCCN/C(=N\CC(C(C)C)C(C)C)NN
InChIInChI=1S/C11H26N4/c1-6-13-11(15-12)14-7-10(8(2)3)9(4)5/h8-10H,6-7,12H2,1-5H3,(H2,13,14,15)
InChIKeyZKLULOXSWXDPOF-UHFFFAOYSA-N
XLogP1.34
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 51.34
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-3-ethyl-2-(3-methyl-2-propan-2-ylbutyl)guanidine?
The IUPAC name of 1-amino-3-ethyl-2-(3-methyl-2-propan-2-ylbutyl)guanidine (CID 102909073) is 1-amino-3-ethyl-2-(3-methyl-2-propan-2-ylbutyl)guanidine.
What is the SMILES notation for 1-amino-3-ethyl-2-(3-methyl-2-propan-2-ylbutyl)guanidine?
The canonical SMILES for 1-amino-3-ethyl-2-(3-methyl-2-propan-2-ylbutyl)guanidine is CCN/C(=N\CC(C(C)C)C(C)C)NN.
What is the InChIKey of 1-amino-3-ethyl-2-(3-methyl-2-propan-2-ylbutyl)guanidine?
The InChIKey is ZKLULOXSWXDPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4/c1-6-13-11(15-12)14-7-10(8(2)3)9(4)5/h8-10H,6-7,12H2,1-5H3,(H2,13,14,15).
What are the key properties of 1-amino-3-ethyl-2-(3-methyl-2-propan-2-ylbutyl)guanidine?
1-amino-3-ethyl-2-(3-methyl-2-propan-2-ylbutyl)guanidine has a molecular weight of 214.36 g/mol, XLogP of 1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethyl-2-(3-methyl-2-propan-2-ylbutyl)guanidine is sourced from PubChem (CID 102909073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).