2-(2,4,4,5-tetramethylhexan-2-yl)-1-[N'-(2,4,4,5-tetramethylhexan-2-yl)carbamimidoyl]guanidine

C22H47N5 — CID 155071905

IUPAC2-(2,4,4,5-tetramethylhexan-2-yl)-1-[N'-(2,4,4,5-tetramethylhexan-2-yl)carbamimidoyl]guanidine
SMILESCC(C)C(C)(C)CC(C)(C)/N=C(\N)N/C(N)=N/C(C)(C)CC(C)(C)C(C)C
InChIInChI=1S/C22H47N5/c1-15(2)19(5,6)13-21(9,10)26-17(23)25-18(24)27-22(11,12)14-20(7,8)16(3)4/h15-16H,13-14H2,1-12H3,(H5,23,24,25,26,27)
InChIKeyQALSEINMUWHCIG-UHFFFAOYSA-N
MW381.65 g/mol
LogP4.91
Rot. Bonds8

About 2-(2,4,4,5-tetramethylhexan-2-yl)-1-[N'-(2,4,4,5-tetramethylhexan-2-yl)carbamimidoyl]guanidine

2-(2,4,4,5-tetramethylhexan-2-yl)-1-[N'-(2,4,4,5-tetramethylhexan-2-yl)carbamimidoyl]guanidine (PubChem CID 155071905) has the molecular formula C22H47N5 and a molecular weight of 381.65 g/mol. Its IUPAC name is 2-(2,4,4,5-tetramethylhexan-2-yl)-1-[N'-(2,4,4,5-tetramethylhexan-2-yl)carbamimidoyl]guanidine.

Molecular Properties

Compound Name2-(2,4,4,5-tetramethylhexan-2-yl)-1-[N'-(2,4,4,5-tetramethylhexan-2-yl)carbamimidoyl]guanidine
PubChem CID155071905
Molecular FormulaC22H47N5
Molecular Weight381.65 g/mol
Exact Mass381.38
IUPAC Name2-(2,4,4,5-tetramethylhexan-2-yl)-1-[N'-(2,4,4,5-tetramethylhexan-2-yl)carbamimidoyl]guanidine
SMILESCC(C)C(C)(C)CC(C)(C)/N=C(\N)N/C(N)=N/C(C)(C)CC(C)(C)C(C)C
InChIInChI=1S/C22H47N5/c1-15(2)19(5,6)13-21(9,10)26-17(23)25-18(24)27-22(11,12)14-20(7,8)16(3)4/h15-16H,13-14H2,1-12H3,(H5,23,24,25,26,27)
InChIKeyQALSEINMUWHCIG-UHFFFAOYSA-N
XLogP4.91
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.65
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2,4,4,5-tetramethylhexan-2-yl)-1-[N'-(2,4,4,5-tetramethylhexan-2-yl)carbamimidoyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,4,5-tetramethylhexan-2-yl)-1-[N'-(2,4,4,5-tetramethylhexan-2-yl)carbamimidoyl]guanidine?
The IUPAC name of 2-(2,4,4,5-tetramethylhexan-2-yl)-1-[N'-(2,4,4,5-tetramethylhexan-2-yl)carbamimidoyl]guanidine (CID 155071905) is 2-(2,4,4,5-tetramethylhexan-2-yl)-1-[N'-(2,4,4,5-tetramethylhexan-2-yl)carbamimidoyl]guanidine.
What is the SMILES notation for 2-(2,4,4,5-tetramethylhexan-2-yl)-1-[N'-(2,4,4,5-tetramethylhexan-2-yl)carbamimidoyl]guanidine?
The canonical SMILES for 2-(2,4,4,5-tetramethylhexan-2-yl)-1-[N'-(2,4,4,5-tetramethylhexan-2-yl)carbamimidoyl]guanidine is CC(C)C(C)(C)CC(C)(C)/N=C(\N)N/C(N)=N/C(C)(C)CC(C)(C)C(C)C.
What is the InChIKey of 2-(2,4,4,5-tetramethylhexan-2-yl)-1-[N'-(2,4,4,5-tetramethylhexan-2-yl)carbamimidoyl]guanidine?
The InChIKey is QALSEINMUWHCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47N5/c1-15(2)19(5,6)13-21(9,10)26-17(23)25-18(24)27-22(11,12)14-20(7,8)16(3)4/h15-16H,13-14H2,1-12H3,(H5,23,24,25,26,27).
What are the key properties of 2-(2,4,4,5-tetramethylhexan-2-yl)-1-[N'-(2,4,4,5-tetramethylhexan-2-yl)carbamimidoyl]guanidine?
2-(2,4,4,5-tetramethylhexan-2-yl)-1-[N'-(2,4,4,5-tetramethylhexan-2-yl)carbamimidoyl]guanidine has a molecular weight of 381.65 g/mol, XLogP of 4.91, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,4,5-tetramethylhexan-2-yl)-1-[N'-(2,4,4,5-tetramethylhexan-2-yl)carbamimidoyl]guanidine is sourced from PubChem (CID 155071905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).