5-[methyl(2-methylsulfanylethyl)amino]pentanimidamide

C9H21N3S — CID 112660222

IUPAC5-[methyl(2-methylsulfanylethyl)amino]pentanimidamide
SMILES[H]/N=C(\N)CCCCN(C)CCSC
InChIInChI=1S/C9H21N3S/c1-12(7-8-13-2)6-4-3-5-9(10)11/h3-8H2,1-2H3,(H3,10,11)
InChIKeyHBQXHUHKASDZNW-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.39
Rot. Bonds8

About 5-[methyl(2-methylsulfanylethyl)amino]pentanimidamide

5-[methyl(2-methylsulfanylethyl)amino]pentanimidamide (PubChem CID 112660222) has the molecular formula C9H21N3S and a molecular weight of 203.35 g/mol. Its IUPAC name is 5-[methyl(2-methylsulfanylethyl)amino]pentanimidamide.

Molecular Properties

Compound Name5-[methyl(2-methylsulfanylethyl)amino]pentanimidamide
PubChem CID112660222
Molecular FormulaC9H21N3S
Molecular Weight203.35 g/mol
Exact Mass203.15
IUPAC Name5-[methyl(2-methylsulfanylethyl)amino]pentanimidamide
SMILES[H]/N=C(\N)CCCCN(C)CCSC
InChIInChI=1S/C9H21N3S/c1-12(7-8-13-2)6-4-3-5-9(10)11/h3-8H2,1-2H3,(H3,10,11)
InChIKeyHBQXHUHKASDZNW-UHFFFAOYSA-N
XLogP1.39
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

4-[methyl(pentyl)amino]butanimidamide
CID 43294979
3-[butyl(methyl)amino]propanimidamide
CID 24696065
N'-methyl-N'-(2-methylsulfanylethyl)heptane-1,7-diamine
CID 112660737
N-methyl-2-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine
CID 72665446
octadecanediimidamide;dihydrochloride
CID 24741615
3-(dimethylamino)propanimidamide;dihydrochloride
CID 47002520
4-[(4-fluorophenyl)methyl-methylamino]butanimidamide
CID 61413635
2-[5-hydroxypentyl(methyl)amino]ethanimidamide
CID 107200220
3-[2-ethoxyethyl(methyl)amino]propanimidamide
CID 43457219
4-ethylsulfanylbutanimidamide;hydrochloride
CID 86775550
5-(3-hydroxypropylsulfanyl)pentanimidamide
CID 66113429
5-[(1-ethylpiperidin-4-yl)-methylamino]pentanimidamide
CID 55004270

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(2-methylsulfanylethyl)amino]pentanimidamide?
The IUPAC name of 5-[methyl(2-methylsulfanylethyl)amino]pentanimidamide (CID 112660222) is 5-[methyl(2-methylsulfanylethyl)amino]pentanimidamide.
What is the SMILES notation for 5-[methyl(2-methylsulfanylethyl)amino]pentanimidamide?
The canonical SMILES for 5-[methyl(2-methylsulfanylethyl)amino]pentanimidamide is [H]/N=C(\N)CCCCN(C)CCSC.
What is the InChIKey of 5-[methyl(2-methylsulfanylethyl)amino]pentanimidamide?
The InChIKey is HBQXHUHKASDZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3S/c1-12(7-8-13-2)6-4-3-5-9(10)11/h3-8H2,1-2H3,(H3,10,11).
What are the key properties of 5-[methyl(2-methylsulfanylethyl)amino]pentanimidamide?
5-[methyl(2-methylsulfanylethyl)amino]pentanimidamide has a molecular weight of 203.35 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(2-methylsulfanylethyl)amino]pentanimidamide is sourced from PubChem (CID 112660222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).