2-(N'-tert-butyl-N-methylcarbamimidoyl)-1,1,3,3-tetramethylguanidine

C11H25N5 — CID 176522943

IUPAC2-(N'-tert-butyl-N-methylcarbamimidoyl)-1,1,3,3-tetramethylguanidine
SMILESCN/C(N=C(N(C)C)N(C)C)=N\C(C)(C)C
InChIInChI=1S/C11H25N5/c1-11(2,3)14-9(12-4)13-10(15(5)6)16(7)8/h1-8H3,(H,12,14)
InChIKeyJUDWYJKRIGFUEQ-UHFFFAOYSA-N
MW227.36 g/mol
LogP0.84
Rot. Bonds

About 2-(N'-tert-butyl-N-methylcarbamimidoyl)-1,1,3,3-tetramethylguanidine

2-(N'-tert-butyl-N-methylcarbamimidoyl)-1,1,3,3-tetramethylguanidine (PubChem CID 176522943) has the molecular formula C11H25N5 and a molecular weight of 227.36 g/mol. Its IUPAC name is 2-(N'-tert-butyl-N-methylcarbamimidoyl)-1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name2-(N'-tert-butyl-N-methylcarbamimidoyl)-1,1,3,3-tetramethylguanidine
PubChem CID176522943
Molecular FormulaC11H25N5
Molecular Weight227.36 g/mol
Exact Mass227.21
IUPAC Name2-(N'-tert-butyl-N-methylcarbamimidoyl)-1,1,3,3-tetramethylguanidine
SMILESCN/C(N=C(N(C)C)N(C)C)=N\C(C)(C)C
InChIInChI=1S/C11H25N5/c1-11(2,3)14-9(12-4)13-10(15(5)6)16(7)8/h1-8H3,(H,12,14)
InChIKeyJUDWYJKRIGFUEQ-UHFFFAOYSA-N
XLogP0.84
TPSA43.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.36
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(N'-tert-butylcarbamimidoyl)-1,1-dimethylguanidine
CID 53307491
N-tert-butyl-5-tert-butylimino-2,2,4,6,6-pentamethylhept-3-en-3-amine
CID 126613754
1,1,3,3-tetramethyl-2-(N,N,N'-trimethylcarbamimidoyl)guanidine
CID 58112258
methyl N'-tert-butylcarbamimidate
CID 13222079
N'-tert-butyl-2-(tert-butylamino)ethanimidamide
CID 59404200
bis(N,N'-ditert-butylethanimidamide);nickel(2+)
CID 159968934
2-tert-butyl-1-methylidene-3-[(Z)-prop-1-enyl]guanidine
CID 166686738
N,N'-bis[bis(dimethylamino)methylidene]pentanediamide
CID 177107454
2-[2-(dimethylamino)-2-methylpropyl]-1,1,3,3-tetramethylguanidine
CID 111028726
N'-hydroxy-N,N-dimethylethanimidamide
CID 6308604
2-N,2-N',2-N'-trimethylpropane-2,2-diamine
CID 22947929
methyl N-[bis(dimethylamino)methylidenecarbamothioyl]carbamate
CID 135083719

Frequently Asked Questions

What is the IUPAC name of 2-(N'-tert-butyl-N-methylcarbamimidoyl)-1,1,3,3-tetramethylguanidine?
The IUPAC name of 2-(N'-tert-butyl-N-methylcarbamimidoyl)-1,1,3,3-tetramethylguanidine (CID 176522943) is 2-(N'-tert-butyl-N-methylcarbamimidoyl)-1,1,3,3-tetramethylguanidine.
What is the SMILES notation for 2-(N'-tert-butyl-N-methylcarbamimidoyl)-1,1,3,3-tetramethylguanidine?
The canonical SMILES for 2-(N'-tert-butyl-N-methylcarbamimidoyl)-1,1,3,3-tetramethylguanidine is CN/C(N=C(N(C)C)N(C)C)=N\C(C)(C)C.
What is the InChIKey of 2-(N'-tert-butyl-N-methylcarbamimidoyl)-1,1,3,3-tetramethylguanidine?
The InChIKey is JUDWYJKRIGFUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N5/c1-11(2,3)14-9(12-4)13-10(15(5)6)16(7)8/h1-8H3,(H,12,14).
What are the key properties of 2-(N'-tert-butyl-N-methylcarbamimidoyl)-1,1,3,3-tetramethylguanidine?
2-(N'-tert-butyl-N-methylcarbamimidoyl)-1,1,3,3-tetramethylguanidine has a molecular weight of 227.36 g/mol, XLogP of 0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N'-tert-butyl-N-methylcarbamimidoyl)-1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 176522943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).