2-[3-[bis(dimethylamino)methylideneamino]propyl]-1,1,3,3-tetramethylguanidine

C13H30N6 — CID 12058928

IUPAC2-[3-[bis(dimethylamino)methylideneamino]propyl]-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=NCCCN=C(N(C)C)N(C)C)N(C)C
InChIInChI=1S/C13H30N6/c1-16(2)12(17(3)4)14-10-9-11-15-13(18(5)6)19(7)8/h9-11H2,1-8H3
InChIKeyVOIBHDDPKWCLSC-UHFFFAOYSA-N
MW270.43 g/mol
LogP0.33
Rot. Bonds4

About 2-[3-[bis(dimethylamino)methylideneamino]propyl]-1,1,3,3-tetramethylguanidine

2-[3-[bis(dimethylamino)methylideneamino]propyl]-1,1,3,3-tetramethylguanidine (PubChem CID 12058928) has the molecular formula C13H30N6 and a molecular weight of 270.43 g/mol. Its IUPAC name is 2-[3-[bis(dimethylamino)methylideneamino]propyl]-1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name2-[3-[bis(dimethylamino)methylideneamino]propyl]-1,1,3,3-tetramethylguanidine
PubChem CID12058928
Molecular FormulaC13H30N6
Molecular Weight270.43 g/mol
Exact Mass270.25
IUPAC Name2-[3-[bis(dimethylamino)methylideneamino]propyl]-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=NCCCN=C(N(C)C)N(C)C)N(C)C
InChIInChI=1S/C13H30N6/c1-16(2)12(17(3)4)14-10-9-11-15-13(18(5)6)19(7)8/h9-11H2,1-8H3
InChIKeyVOIBHDDPKWCLSC-UHFFFAOYSA-N
XLogP0.33
TPSA37.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.43
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[3-[bis(dimethylamino)methylideneamino]propyl]-1,1,3,3-tetramethylguanidine 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 2-[3-[bis(dimethylamino)methylideneamino]propyl]-1,1,3,3-tetramethylguanidine?
The IUPAC name of 2-[3-[bis(dimethylamino)methylideneamino]propyl]-1,1,3,3-tetramethylguanidine (CID 12058928) is 2-[3-[bis(dimethylamino)methylideneamino]propyl]-1,1,3,3-tetramethylguanidine.
What is the SMILES notation for 2-[3-[bis(dimethylamino)methylideneamino]propyl]-1,1,3,3-tetramethylguanidine?
The canonical SMILES for 2-[3-[bis(dimethylamino)methylideneamino]propyl]-1,1,3,3-tetramethylguanidine is CN(C)C(=NCCCN=C(N(C)C)N(C)C)N(C)C.
What is the InChIKey of 2-[3-[bis(dimethylamino)methylideneamino]propyl]-1,1,3,3-tetramethylguanidine?
The InChIKey is VOIBHDDPKWCLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N6/c1-16(2)12(17(3)4)14-10-9-11-15-13(18(5)6)19(7)8/h9-11H2,1-8H3.
What are the key properties of 2-[3-[bis(dimethylamino)methylideneamino]propyl]-1,1,3,3-tetramethylguanidine?
2-[3-[bis(dimethylamino)methylideneamino]propyl]-1,1,3,3-tetramethylguanidine has a molecular weight of 270.43 g/mol, XLogP of 0.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[bis(dimethylamino)methylideneamino]propyl]-1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 12058928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).