2-(N'-tert-butylcarbamimidoyl)-1,1-dimethylguanidine

C8H19N5 — CID 53307491

IUPAC2-(N'-tert-butylcarbamimidoyl)-1,1-dimethylguanidine
SMILESCN(C)/C(N)=N/C(N)=N/C(C)(C)C
InChIInChI=1S/C8H19N5/c1-8(2,3)12-6(9)11-7(10)13(4)5/h1-5H3,(H4,9,10,11,12)
InChIKeyGRSPBNITKMLYOG-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.02
Rot. Bonds

About 2-(N'-tert-butylcarbamimidoyl)-1,1-dimethylguanidine

2-(N'-tert-butylcarbamimidoyl)-1,1-dimethylguanidine (PubChem CID 53307491) has the molecular formula C8H19N5 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(N'-tert-butylcarbamimidoyl)-1,1-dimethylguanidine.

Molecular Properties

Compound Name2-(N'-tert-butylcarbamimidoyl)-1,1-dimethylguanidine
PubChem CID53307491
Molecular FormulaC8H19N5
Molecular Weight185.27 g/mol
Exact Mass185.16
IUPAC Name2-(N'-tert-butylcarbamimidoyl)-1,1-dimethylguanidine
SMILESCN(C)/C(N)=N/C(N)=N/C(C)(C)C
InChIInChI=1S/C8H19N5/c1-8(2,3)12-6(9)11-7(10)13(4)5/h1-5H3,(H4,9,10,11,12)
InChIKeyGRSPBNITKMLYOG-UHFFFAOYSA-N
XLogP-0.02
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
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

methyl N'-tert-butylcarbamimidate
CID 13222079
2-[N'-(cyclopropylmethyl)carbamimidoyl]-1,1-dimethylguanidine
CID 140599397
1,1-dimethyl-2-[(E)-N'-(2,2,2-trifluoroethylsulfonyl)carbamimidoyl]guanidine
CID 162674043
2-[N'-(4-chlorophenyl)carbamimidoyl]-1,1-dimethylguanidine
CID 123842816
methyl N'-tert-butyl-N-(diaminomethylidene)carbamimidothioate
CID 123228485
2-tert-butyl-1,1-bis(2-methoxyethyl)guanidine
CID 62364543
2-tert-butyl-1-(2,2-difluoroethyl)-1-methylguanidine
CID 115629715
2-tert-butyl-1-methyl-1-pentylguanidine
CID 62359388
1,2-dimethyl-1-(2-methylbutan-2-yl)guanidine
CID 63958518
1,1-dimethyl-2-[N'-(1H-pyrrol-3-yl)carbamimidoyl]guanidine
CID 123396069
2-tert-butyl-1-methyl-1-(2-methylsulfanylethyl)guanidine
CID 112660655
2-(N'-tert-butyl-N-methylcarbamimidoyl)-1,1,3,3-tetramethylguanidine
CID 176522943

Frequently Asked Questions

What is the IUPAC name of 2-(N'-tert-butylcarbamimidoyl)-1,1-dimethylguanidine?
The IUPAC name of 2-(N'-tert-butylcarbamimidoyl)-1,1-dimethylguanidine (CID 53307491) is 2-(N'-tert-butylcarbamimidoyl)-1,1-dimethylguanidine.
What is the SMILES notation for 2-(N'-tert-butylcarbamimidoyl)-1,1-dimethylguanidine?
The canonical SMILES for 2-(N'-tert-butylcarbamimidoyl)-1,1-dimethylguanidine is CN(C)/C(N)=N/C(N)=N/C(C)(C)C.
What is the InChIKey of 2-(N'-tert-butylcarbamimidoyl)-1,1-dimethylguanidine?
The InChIKey is GRSPBNITKMLYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N5/c1-8(2,3)12-6(9)11-7(10)13(4)5/h1-5H3,(H4,9,10,11,12).
What are the key properties of 2-(N'-tert-butylcarbamimidoyl)-1,1-dimethylguanidine?
2-(N'-tert-butylcarbamimidoyl)-1,1-dimethylguanidine has a molecular weight of 185.27 g/mol, XLogP of -0.02, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N'-tert-butylcarbamimidoyl)-1,1-dimethylguanidine is sourced from PubChem (CID 53307491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).