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

C12H28N6 — CID 23154888

IUPAC2-[2-[bis(dimethylamino)methylideneamino]ethyl]-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=NCCN=C(N(C)C)N(C)C)N(C)C
InChIInChI=1S/C12H28N6/c1-15(2)11(16(3)4)13-9-10-14-12(17(5)6)18(7)8/h9-10H2,1-8H3
InChIKeyZCBQJRXSMAITNS-UHFFFAOYSA-N
MW256.40 g/mol
LogP-0.06
Rot. Bonds3

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

2-[2-[bis(dimethylamino)methylideneamino]ethyl]-1,1,3,3-tetramethylguanidine (PubChem CID 23154888) has the molecular formula C12H28N6 and a molecular weight of 256.40 g/mol. Its IUPAC name is 2-[2-[bis(dimethylamino)methylideneamino]ethyl]-1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name2-[2-[bis(dimethylamino)methylideneamino]ethyl]-1,1,3,3-tetramethylguanidine
PubChem CID23154888
Molecular FormulaC12H28N6
Molecular Weight256.40 g/mol
Exact Mass256.24
IUPAC Name2-[2-[bis(dimethylamino)methylideneamino]ethyl]-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=NCCN=C(N(C)C)N(C)C)N(C)C
InChIInChI=1S/C12H28N6/c1-15(2)11(16(3)4)13-9-10-14-12(17(5)6)18(7)8/h9-10H2,1-8H3
InChIKeyZCBQJRXSMAITNS-UHFFFAOYSA-N
XLogP-0.06
TPSA37.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.40
LogP ≤ 5-0.06
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(dimethylamino)methylideneamino]ethyl]-1,1,3,3-tetramethylguanidine?
The IUPAC name of 2-[2-[bis(dimethylamino)methylideneamino]ethyl]-1,1,3,3-tetramethylguanidine (CID 23154888) is 2-[2-[bis(dimethylamino)methylideneamino]ethyl]-1,1,3,3-tetramethylguanidine.
What is the SMILES notation for 2-[2-[bis(dimethylamino)methylideneamino]ethyl]-1,1,3,3-tetramethylguanidine?
The canonical SMILES for 2-[2-[bis(dimethylamino)methylideneamino]ethyl]-1,1,3,3-tetramethylguanidine is CN(C)C(=NCCN=C(N(C)C)N(C)C)N(C)C.
What is the InChIKey of 2-[2-[bis(dimethylamino)methylideneamino]ethyl]-1,1,3,3-tetramethylguanidine?
The InChIKey is ZCBQJRXSMAITNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N6/c1-15(2)11(16(3)4)13-9-10-14-12(17(5)6)18(7)8/h9-10H2,1-8H3.
What are the key properties of 2-[2-[bis(dimethylamino)methylideneamino]ethyl]-1,1,3,3-tetramethylguanidine?
2-[2-[bis(dimethylamino)methylideneamino]ethyl]-1,1,3,3-tetramethylguanidine has a molecular weight of 256.40 g/mol, XLogP of -0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(dimethylamino)methylideneamino]ethyl]-1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 23154888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).