2-methyl-1-(5-methylhexan-2-yl)-3-(2-methylpropyl)guanidine;hydroiodide

C13H30IN3 — CID 111204347

IUPAC2-methyl-1-(5-methylhexan-2-yl)-3-(2-methylpropyl)guanidine;hydroiodide
SMILESC/N=C(\NCC(C)C)NC(C)CCC(C)C.I
InChIInChI=1S/C13H29N3.HI/c1-10(2)7-8-12(5)16-13(14-6)15-9-11(3)4;/h10-12H,7-9H2,1-6H3,(H2,14,15,16);1H
InChIKeyDFNGEGZNNWFMRX-UHFFFAOYSA-N
MW355.31 g/mol
LogP3.25
Rot. Bonds6

About 2-methyl-1-(5-methylhexan-2-yl)-3-(2-methylpropyl)guanidine;hydroiodide

2-methyl-1-(5-methylhexan-2-yl)-3-(2-methylpropyl)guanidine;hydroiodide (PubChem CID 111204347) has the molecular formula C13H30IN3 and a molecular weight of 355.31 g/mol. Its IUPAC name is 2-methyl-1-(5-methylhexan-2-yl)-3-(2-methylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-(5-methylhexan-2-yl)-3-(2-methylpropyl)guanidine;hydroiodide
PubChem CID111204347
Molecular FormulaC13H30IN3
Molecular Weight355.31 g/mol
Exact Mass355.15
IUPAC Name2-methyl-1-(5-methylhexan-2-yl)-3-(2-methylpropyl)guanidine;hydroiodide
SMILESC/N=C(\NCC(C)C)NC(C)CCC(C)C.I
InChIInChI=1S/C13H29N3.HI/c1-10(2)7-8-12(5)16-13(14-6)15-9-11(3)4;/h10-12H,7-9H2,1-6H3,(H2,14,15,16);1H
InChIKeyDFNGEGZNNWFMRX-UHFFFAOYSA-N
XLogP3.25
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 53.25
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[2-[[N'-methyl-N-(5-methylhexan-2-yl)carbamimidoyl]amino]ethyl]propanamide;hydroiodide
CID 111203705
1,2-dimethyl-3-(2-methylpropyl)guanidine
CID 130768145
2-methyl-1-(5-methylhexan-2-yl)-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111204089
2-methyl-1-(5-methylhexan-2-yl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine;hydroiodide
CID 111203557
1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-(5-methylhexan-2-yl)guanidine
CID 111203382
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methyl-3-(5-methylhexan-2-yl)guanidine;hydroiodide
CID 111762902
tert-butyl N-[3-[[N'-methyl-N-(5-methylhexan-2-yl)carbamimidoyl]amino]propyl]carbamate;hydroiodide
CID 111204105
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(5-methylhexan-2-yl)guanidine
CID 111204562
1-[2-(2-butoxyethoxy)ethyl]-2-methyl-3-(5-methylhexan-2-yl)guanidine
CID 111499351
2-methyl-1,3-bis(3-methylbutyl)guanidine;hydroiodide
CID 110978186
1-[(4-methoxyphenyl)methyl]-2-methyl-3-(5-methylhexan-2-yl)guanidine
CID 111203856
2-methyl-1-(5-methylhexan-2-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 111773379

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5-methylhexan-2-yl)-3-(2-methylpropyl)guanidine;hydroiodide?
The IUPAC name of 2-methyl-1-(5-methylhexan-2-yl)-3-(2-methylpropyl)guanidine;hydroiodide (CID 111204347) is 2-methyl-1-(5-methylhexan-2-yl)-3-(2-methylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-(5-methylhexan-2-yl)-3-(2-methylpropyl)guanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-(5-methylhexan-2-yl)-3-(2-methylpropyl)guanidine;hydroiodide is C/N=C(\NCC(C)C)NC(C)CCC(C)C.I.
What is the InChIKey of 2-methyl-1-(5-methylhexan-2-yl)-3-(2-methylpropyl)guanidine;hydroiodide?
The InChIKey is DFNGEGZNNWFMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3.HI/c1-10(2)7-8-12(5)16-13(14-6)15-9-11(3)4;/h10-12H,7-9H2,1-6H3,(H2,14,15,16);1H.
What are the key properties of 2-methyl-1-(5-methylhexan-2-yl)-3-(2-methylpropyl)guanidine;hydroiodide?
2-methyl-1-(5-methylhexan-2-yl)-3-(2-methylpropyl)guanidine;hydroiodide has a molecular weight of 355.31 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-methylhexan-2-yl)-3-(2-methylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111204347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).