3-amino-1-butyl-1,2-dimethylguanidine

C7H18N4 — CID 104881964

IUPAC3-amino-1-butyl-1,2-dimethylguanidine
SMILESCCCCN(C)/C(=N/C)NN
InChIInChI=1S/C7H18N4/c1-4-5-6-11(3)7(9-2)10-8/h4-6,8H2,1-3H3,(H,9,10)
InChIKeyVRSBVTPGZCVMCX-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.17
Rot. Bonds3

About 3-amino-1-butyl-1,2-dimethylguanidine

3-amino-1-butyl-1,2-dimethylguanidine (PubChem CID 104881964) has the molecular formula C7H18N4 and a molecular weight of 158.25 g/mol. Its IUPAC name is 3-amino-1-butyl-1,2-dimethylguanidine.

Molecular Properties

Compound Name3-amino-1-butyl-1,2-dimethylguanidine
PubChem CID104881964
Molecular FormulaC7H18N4
Molecular Weight158.25 g/mol
Exact Mass158.15
IUPAC Name3-amino-1-butyl-1,2-dimethylguanidine
SMILESCCCCN(C)/C(=N/C)NN
InChIInChI=1S/C7H18N4/c1-4-5-6-11(3)7(9-2)10-8/h4-6,8H2,1-3H3,(H,9,10)
InChIKeyVRSBVTPGZCVMCX-UHFFFAOYSA-N
XLogP0.17
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.17
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-butyl-1,2-dimethylguanidine 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-butyl-1,2-dimethylguanidine?
The IUPAC name of 3-amino-1-butyl-1,2-dimethylguanidine (CID 104881964) is 3-amino-1-butyl-1,2-dimethylguanidine.
What is the SMILES notation for 3-amino-1-butyl-1,2-dimethylguanidine?
The canonical SMILES for 3-amino-1-butyl-1,2-dimethylguanidine is CCCCN(C)/C(=N/C)NN.
What is the InChIKey of 3-amino-1-butyl-1,2-dimethylguanidine?
The InChIKey is VRSBVTPGZCVMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4/c1-4-5-6-11(3)7(9-2)10-8/h4-6,8H2,1-3H3,(H,9,10).
What are the key properties of 3-amino-1-butyl-1,2-dimethylguanidine?
3-amino-1-butyl-1,2-dimethylguanidine has a molecular weight of 158.25 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-butyl-1,2-dimethylguanidine is sourced from PubChem (CID 104881964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).