1,2-bis(benzylamino)guanidine;hydrochloride

C15H20ClN5 — CID 131985003

IUPAC1,2-bis(benzylamino)guanidine;hydrochloride
SMILESCl.N/C(=N\NCc1ccccc1)NNCc1ccccc1
InChIInChI=1S/C15H19N5.ClH/c16-15(19-17-11-13-7-3-1-4-8-13)20-18-12-14-9-5-2-6-10-14;/h1-10,17-18H,11-12H2,(H3,16,19,20);1H
InChIKeyMFHDAXYPLOREPG-UHFFFAOYSA-N
MW305.81 g/mol
LogP1.72
Rot. Bonds6

About 1,2-bis(benzylamino)guanidine;hydrochloride

1,2-bis(benzylamino)guanidine;hydrochloride (PubChem CID 131985003) has the molecular formula C15H20ClN5 and a molecular weight of 305.81 g/mol. Its IUPAC name is 1,2-bis(benzylamino)guanidine;hydrochloride.

Molecular Properties

Compound Name1,2-bis(benzylamino)guanidine;hydrochloride
PubChem CID131985003
Molecular FormulaC15H20ClN5
Molecular Weight305.81 g/mol
Exact Mass305.14
IUPAC Name1,2-bis(benzylamino)guanidine;hydrochloride
SMILESCl.N/C(=N\NCc1ccccc1)NNCc1ccccc1
InChIInChI=1S/C15H19N5.ClH/c16-15(19-17-11-13-7-3-1-4-8-13)20-18-12-14-9-5-2-6-10-14;/h1-10,17-18H,11-12H2,(H3,16,19,20);1H
InChIKeyMFHDAXYPLOREPG-UHFFFAOYSA-N
XLogP1.72
TPSA74.47 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 51.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(benzylamino)guanidine;hydrochloride?
The IUPAC name of 1,2-bis(benzylamino)guanidine;hydrochloride (CID 131985003) is 1,2-bis(benzylamino)guanidine;hydrochloride.
What is the SMILES notation for 1,2-bis(benzylamino)guanidine;hydrochloride?
The canonical SMILES for 1,2-bis(benzylamino)guanidine;hydrochloride is Cl.N/C(=N\NCc1ccccc1)NNCc1ccccc1.
What is the InChIKey of 1,2-bis(benzylamino)guanidine;hydrochloride?
The InChIKey is MFHDAXYPLOREPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5.ClH/c16-15(19-17-11-13-7-3-1-4-8-13)20-18-12-14-9-5-2-6-10-14;/h1-10,17-18H,11-12H2,(H3,16,19,20);1H.
What are the key properties of 1,2-bis(benzylamino)guanidine;hydrochloride?
1,2-bis(benzylamino)guanidine;hydrochloride has a molecular weight of 305.81 g/mol, XLogP of 1.72, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(benzylamino)guanidine;hydrochloride is sourced from PubChem (CID 131985003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).