2-[4-[bis(dimethylamino)methylideneamino]cyclopenta-1,3-dien-1-yl]-1,1,3,3-tetramethylguanidine

C15H28N6 — CID 71037906

IUPAC2-[4-[bis(dimethylamino)methylideneamino]cyclopenta-1,3-dien-1-yl]-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=NC1=CC=C(N=C(N(C)C)N(C)C)C1)N(C)C
InChIInChI=1S/C15H28N6/c1-18(2)14(19(3)4)16-12-9-10-13(11-12)17-15(20(5)6)21(7)8/h9-10H,11H2,1-8H3
InChIKeyUEXCEFLSOOOISA-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.12
Rot. Bonds2

About 2-[4-[bis(dimethylamino)methylideneamino]cyclopenta-1,3-dien-1-yl]-1,1,3,3-tetramethylguanidine

2-[4-[bis(dimethylamino)methylideneamino]cyclopenta-1,3-dien-1-yl]-1,1,3,3-tetramethylguanidine (PubChem CID 71037906) has the molecular formula C15H28N6 and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-[4-[bis(dimethylamino)methylideneamino]cyclopenta-1,3-dien-1-yl]-1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name2-[4-[bis(dimethylamino)methylideneamino]cyclopenta-1,3-dien-1-yl]-1,1,3,3-tetramethylguanidine
PubChem CID71037906
Molecular FormulaC15H28N6
Molecular Weight292.43 g/mol
Exact Mass292.24
IUPAC Name2-[4-[bis(dimethylamino)methylideneamino]cyclopenta-1,3-dien-1-yl]-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=NC1=CC=C(N=C(N(C)C)N(C)C)C1)N(C)C
InChIInChI=1S/C15H28N6/c1-18(2)14(19(3)4)16-12-9-10-13(11-12)17-15(20(5)6)21(7)8/h9-10H,11H2,1-8H3
InChIKeyUEXCEFLSOOOISA-UHFFFAOYSA-N
XLogP1.12
TPSA37.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-[4-[bis(dimethylamino)methylideneamino]cyclopenta-1,3-dien-1-yl]-1,1,3,3-tetramethylguanidine?
The IUPAC name of 2-[4-[bis(dimethylamino)methylideneamino]cyclopenta-1,3-dien-1-yl]-1,1,3,3-tetramethylguanidine (CID 71037906) is 2-[4-[bis(dimethylamino)methylideneamino]cyclopenta-1,3-dien-1-yl]-1,1,3,3-tetramethylguanidine.
What is the SMILES notation for 2-[4-[bis(dimethylamino)methylideneamino]cyclopenta-1,3-dien-1-yl]-1,1,3,3-tetramethylguanidine?
The canonical SMILES for 2-[4-[bis(dimethylamino)methylideneamino]cyclopenta-1,3-dien-1-yl]-1,1,3,3-tetramethylguanidine is CN(C)C(=NC1=CC=C(N=C(N(C)C)N(C)C)C1)N(C)C.
What is the InChIKey of 2-[4-[bis(dimethylamino)methylideneamino]cyclopenta-1,3-dien-1-yl]-1,1,3,3-tetramethylguanidine?
The InChIKey is UEXCEFLSOOOISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6/c1-18(2)14(19(3)4)16-12-9-10-13(11-12)17-15(20(5)6)21(7)8/h9-10H,11H2,1-8H3.
What are the key properties of 2-[4-[bis(dimethylamino)methylideneamino]cyclopenta-1,3-dien-1-yl]-1,1,3,3-tetramethylguanidine?
2-[4-[bis(dimethylamino)methylideneamino]cyclopenta-1,3-dien-1-yl]-1,1,3,3-tetramethylguanidine has a molecular weight of 292.43 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[bis(dimethylamino)methylideneamino]cyclopenta-1,3-dien-1-yl]-1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 71037906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).