1-cyclopropyl-2-(4-methylsulfanylbutyl)guanidine;hydroiodide

C9H20IN3S — CID 111435808

IUPAC1-cyclopropyl-2-(4-methylsulfanylbutyl)guanidine;hydroiodide
SMILESCSCCCC/N=C(\N)NC1CC1.I
InChIInChI=1S/C9H19N3S.HI/c1-13-7-3-2-6-11-9(10)12-8-4-5-8;/h8H,2-7H2,1H3,(H3,10,11,12);1H
InChIKeyYTCBBSBRRGPVKE-UHFFFAOYSA-N
MW329.25 g/mol
LogP1.81
Rot. Bonds6

About 1-cyclopropyl-2-(4-methylsulfanylbutyl)guanidine;hydroiodide

1-cyclopropyl-2-(4-methylsulfanylbutyl)guanidine;hydroiodide (PubChem CID 111435808) has the molecular formula C9H20IN3S and a molecular weight of 329.25 g/mol. Its IUPAC name is 1-cyclopropyl-2-(4-methylsulfanylbutyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-2-(4-methylsulfanylbutyl)guanidine;hydroiodide
PubChem CID111435808
Molecular FormulaC9H20IN3S
Molecular Weight329.25 g/mol
Exact Mass329.04
IUPAC Name1-cyclopropyl-2-(4-methylsulfanylbutyl)guanidine;hydroiodide
SMILESCSCCCC/N=C(\N)NC1CC1.I
InChIInChI=1S/C9H19N3S.HI/c1-13-7-3-2-6-11-9(10)12-8-4-5-8;/h8H,2-7H2,1H3,(H3,10,11,12);1H
InChIKeyYTCBBSBRRGPVKE-UHFFFAOYSA-N
XLogP1.81
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.25
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

1-cyclopropyl-2-(4-methylsulfanylbutyl)guanidine
CID 111435809
2-[6-[[amino-(cyclopropylamino)methylidene]amino]hexyl]-1-cyclopropylguanidine
CID 110062172
4-[[amino-(cyclopropylamino)methylidene]amino]butanamide
CID 62363959
methyl 5-[[amino-(cyclopropylamino)methylidene]amino]pentanoate
CID 110930156
1-cyclohexyl-2-octylguanidine
CID 113337391
1-cyclopropyl-2-(3-methylbutyl)guanidine
CID 62362173
2-(6-methylsulfanylhexyl)guanidine
CID 59806974
1-hexyl-2-(6-methylsulfanylhexyl)guanidine;hydroiodide
CID 110032081
1-cyclohexyl-2-(5-methylhexyl)guanidine
CID 79479082
1-amino-3-cyclohexyl-2-(3-methylsulfanylpropyl)guanidine
CID 104886471
1-cyclohexyl-2-[7-(dimethylamino)heptyl]guanidine
CID 111084877
1-butan-2-yl-2-(6-methylsulfanylhexyl)guanidine
CID 110029262

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(4-methylsulfanylbutyl)guanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-2-(4-methylsulfanylbutyl)guanidine;hydroiodide (CID 111435808) is 1-cyclopropyl-2-(4-methylsulfanylbutyl)guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-2-(4-methylsulfanylbutyl)guanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-2-(4-methylsulfanylbutyl)guanidine;hydroiodide is CSCCCC/N=C(\N)NC1CC1.I.
What is the InChIKey of 1-cyclopropyl-2-(4-methylsulfanylbutyl)guanidine;hydroiodide?
The InChIKey is YTCBBSBRRGPVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3S.HI/c1-13-7-3-2-6-11-9(10)12-8-4-5-8;/h8H,2-7H2,1H3,(H3,10,11,12);1H.
What are the key properties of 1-cyclopropyl-2-(4-methylsulfanylbutyl)guanidine;hydroiodide?
1-cyclopropyl-2-(4-methylsulfanylbutyl)guanidine;hydroiodide has a molecular weight of 329.25 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(4-methylsulfanylbutyl)guanidine;hydroiodide is sourced from PubChem (CID 111435808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).