1-amino-2-[4-(dimethylamino)butyl]guanidine

C7H19N5 — CID 64866669

IUPAC1-amino-2-[4-(dimethylamino)butyl]guanidine
SMILESCN(C)CCCC/N=C(\N)NN
InChIInChI=1S/C7H19N5/c1-12(2)6-4-3-5-10-7(8)11-9/h3-6,9H2,1-2H3,(H3,8,10,11)
InChIKeyUNZKTHMDGVIILQ-UHFFFAOYSA-N
MW173.26 g/mol
LogP-0.89
Rot. Bonds5

About 1-amino-2-[4-(dimethylamino)butyl]guanidine

1-amino-2-[4-(dimethylamino)butyl]guanidine (PubChem CID 64866669) has the molecular formula C7H19N5 and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-amino-2-[4-(dimethylamino)butyl]guanidine.

Molecular Properties

Compound Name1-amino-2-[4-(dimethylamino)butyl]guanidine
PubChem CID64866669
Molecular FormulaC7H19N5
Molecular Weight173.26 g/mol
Exact Mass173.16
IUPAC Name1-amino-2-[4-(dimethylamino)butyl]guanidine
SMILESCN(C)CCCC/N=C(\N)NN
InChIInChI=1S/C7H19N5/c1-12(2)6-4-3-5-10-7(8)11-9/h3-6,9H2,1-2H3,(H3,8,10,11)
InChIKeyUNZKTHMDGVIILQ-UHFFFAOYSA-N
XLogP-0.89
TPSA79.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[4-(dimethylamino)butyl]guanidine?
The IUPAC name of 1-amino-2-[4-(dimethylamino)butyl]guanidine (CID 64866669) is 1-amino-2-[4-(dimethylamino)butyl]guanidine.
What is the SMILES notation for 1-amino-2-[4-(dimethylamino)butyl]guanidine?
The canonical SMILES for 1-amino-2-[4-(dimethylamino)butyl]guanidine is CN(C)CCCC/N=C(\N)NN.
What is the InChIKey of 1-amino-2-[4-(dimethylamino)butyl]guanidine?
The InChIKey is UNZKTHMDGVIILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N5/c1-12(2)6-4-3-5-10-7(8)11-9/h3-6,9H2,1-2H3,(H3,8,10,11).
What are the key properties of 1-amino-2-[4-(dimethylamino)butyl]guanidine?
1-amino-2-[4-(dimethylamino)butyl]guanidine has a molecular weight of 173.26 g/mol, XLogP of -0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[4-(dimethylamino)butyl]guanidine is sourced from PubChem (CID 64866669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).