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

C15H34N6 — CID 23154832

IUPAC2-[3-[bis(dimethylamino)methylideneamino]-2,2-dimethylpropyl]-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=NCC(C)(C)CN=C(N(C)C)N(C)C)N(C)C
InChIInChI=1S/C15H34N6/c1-15(2,11-16-13(18(3)4)19(5)6)12-17-14(20(7)8)21(9)10/h11-12H2,1-10H3
InChIKeyTZFFFUNRXNHDSV-UHFFFAOYSA-N
MW298.48 g/mol
LogP0.97
Rot. Bonds4

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

2-[3-[bis(dimethylamino)methylideneamino]-2,2-dimethylpropyl]-1,1,3,3-tetramethylguanidine (PubChem CID 23154832) has the molecular formula C15H34N6 and a molecular weight of 298.48 g/mol. Its IUPAC name is 2-[3-[bis(dimethylamino)methylideneamino]-2,2-dimethylpropyl]-1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name2-[3-[bis(dimethylamino)methylideneamino]-2,2-dimethylpropyl]-1,1,3,3-tetramethylguanidine
PubChem CID23154832
Molecular FormulaC15H34N6
Molecular Weight298.48 g/mol
Exact Mass298.28
IUPAC Name2-[3-[bis(dimethylamino)methylideneamino]-2,2-dimethylpropyl]-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=NCC(C)(C)CN=C(N(C)C)N(C)C)N(C)C
InChIInChI=1S/C15H34N6/c1-15(2,11-16-13(18(3)4)19(5)6)12-17-14(20(7)8)21(9)10/h11-12H2,1-10H3
InChIKeyTZFFFUNRXNHDSV-UHFFFAOYSA-N
XLogP0.97
TPSA37.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.48
LogP ≤ 50.97
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-[3-[bis(dimethylamino)methylideneamino]-2,2-dimethylpropyl]-1,1,3,3-tetramethylguanidine?
The IUPAC name of 2-[3-[bis(dimethylamino)methylideneamino]-2,2-dimethylpropyl]-1,1,3,3-tetramethylguanidine (CID 23154832) is 2-[3-[bis(dimethylamino)methylideneamino]-2,2-dimethylpropyl]-1,1,3,3-tetramethylguanidine.
What is the SMILES notation for 2-[3-[bis(dimethylamino)methylideneamino]-2,2-dimethylpropyl]-1,1,3,3-tetramethylguanidine?
The canonical SMILES for 2-[3-[bis(dimethylamino)methylideneamino]-2,2-dimethylpropyl]-1,1,3,3-tetramethylguanidine is CN(C)C(=NCC(C)(C)CN=C(N(C)C)N(C)C)N(C)C.
What is the InChIKey of 2-[3-[bis(dimethylamino)methylideneamino]-2,2-dimethylpropyl]-1,1,3,3-tetramethylguanidine?
The InChIKey is TZFFFUNRXNHDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N6/c1-15(2,11-16-13(18(3)4)19(5)6)12-17-14(20(7)8)21(9)10/h11-12H2,1-10H3.
What are the key properties of 2-[3-[bis(dimethylamino)methylideneamino]-2,2-dimethylpropyl]-1,1,3,3-tetramethylguanidine?
2-[3-[bis(dimethylamino)methylideneamino]-2,2-dimethylpropyl]-1,1,3,3-tetramethylguanidine has a molecular weight of 298.48 g/mol, XLogP of 0.97, 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]-2,2-dimethylpropyl]-1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 23154832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).