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

C20H39N9 — CID 71037907

IUPAC2-[2,4-bis[bis(dimethylamino)methylideneamino]cyclopenta-1,3-dien-1-yl]-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=NC1=CC(N=C(N(C)C)N(C)C)=C(N=C(N(C)C)N(C)C)C1)N(C)C
InChIInChI=1S/C20H39N9/c1-24(2)18(25(3)4)21-15-13-16(22-19(26(5)6)27(7)8)17(14-15)23-20(28(9)10)29(11)12/h13H,14H2,1-12H3
InChIKeyMMWPXURYSXJZNI-UHFFFAOYSA-N
MW405.60 g/mol
LogP0.92
Rot. Bonds3

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

2-[2,4-bis[bis(dimethylamino)methylideneamino]cyclopenta-1,3-dien-1-yl]-1,1,3,3-tetramethylguanidine (PubChem CID 71037907) has the molecular formula C20H39N9 and a molecular weight of 405.60 g/mol. Its IUPAC name is 2-[2,4-bis[bis(dimethylamino)methylideneamino]cyclopenta-1,3-dien-1-yl]-1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name2-[2,4-bis[bis(dimethylamino)methylideneamino]cyclopenta-1,3-dien-1-yl]-1,1,3,3-tetramethylguanidine
PubChem CID71037907
Molecular FormulaC20H39N9
Molecular Weight405.60 g/mol
Exact Mass405.33
IUPAC Name2-[2,4-bis[bis(dimethylamino)methylideneamino]cyclopenta-1,3-dien-1-yl]-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=NC1=CC(N=C(N(C)C)N(C)C)=C(N=C(N(C)C)N(C)C)C1)N(C)C
InChIInChI=1S/C20H39N9/c1-24(2)18(25(3)4)21-15-13-16(22-19(26(5)6)27(7)8)17(14-15)23-20(28(9)10)29(11)12/h13H,14H2,1-12H3
InChIKeyMMWPXURYSXJZNI-UHFFFAOYSA-N
XLogP0.92
TPSA56.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.60
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[2,4-bis[bis(dimethylamino)methylideneamino]cyclopenta-1,3-dien-1-yl]-1,1,3,3-tetramethylguanidine?
The IUPAC name of 2-[2,4-bis[bis(dimethylamino)methylideneamino]cyclopenta-1,3-dien-1-yl]-1,1,3,3-tetramethylguanidine (CID 71037907) is 2-[2,4-bis[bis(dimethylamino)methylideneamino]cyclopenta-1,3-dien-1-yl]-1,1,3,3-tetramethylguanidine.
What is the SMILES notation for 2-[2,4-bis[bis(dimethylamino)methylideneamino]cyclopenta-1,3-dien-1-yl]-1,1,3,3-tetramethylguanidine?
The canonical SMILES for 2-[2,4-bis[bis(dimethylamino)methylideneamino]cyclopenta-1,3-dien-1-yl]-1,1,3,3-tetramethylguanidine is CN(C)C(=NC1=CC(N=C(N(C)C)N(C)C)=C(N=C(N(C)C)N(C)C)C1)N(C)C.
What is the InChIKey of 2-[2,4-bis[bis(dimethylamino)methylideneamino]cyclopenta-1,3-dien-1-yl]-1,1,3,3-tetramethylguanidine?
The InChIKey is MMWPXURYSXJZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N9/c1-24(2)18(25(3)4)21-15-13-16(22-19(26(5)6)27(7)8)17(14-15)23-20(28(9)10)29(11)12/h13H,14H2,1-12H3.
What are the key properties of 2-[2,4-bis[bis(dimethylamino)methylideneamino]cyclopenta-1,3-dien-1-yl]-1,1,3,3-tetramethylguanidine?
2-[2,4-bis[bis(dimethylamino)methylideneamino]cyclopenta-1,3-dien-1-yl]-1,1,3,3-tetramethylguanidine has a molecular weight of 405.60 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-bis[bis(dimethylamino)methylideneamino]cyclopenta-1,3-dien-1-yl]-1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 71037907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).