2-propyl-1-(2-prop-2-ynylsulfanylethyl)guanidine

C9H17N3S — CID 103734491

IUPAC2-propyl-1-(2-prop-2-ynylsulfanylethyl)guanidine
SMILESC#CCSCCN/C(N)=N/CCC
InChIInChI=1S/C9H17N3S/c1-3-5-11-9(10)12-6-8-13-7-4-2/h2H,3,5-8H2,1H3,(H3,10,11,12)
InChIKeyVQTLWEKRMUOGNV-UHFFFAOYSA-N
MW199.32 g/mol
LogP0.67
Rot. Bonds6

About 2-propyl-1-(2-prop-2-ynylsulfanylethyl)guanidine

2-propyl-1-(2-prop-2-ynylsulfanylethyl)guanidine (PubChem CID 103734491) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 2-propyl-1-(2-prop-2-ynylsulfanylethyl)guanidine.

Molecular Properties

Compound Name2-propyl-1-(2-prop-2-ynylsulfanylethyl)guanidine
PubChem CID103734491
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name2-propyl-1-(2-prop-2-ynylsulfanylethyl)guanidine
SMILESC#CCSCCN/C(N)=N/CCC
InChIInChI=1S/C9H17N3S/c1-3-5-11-9(10)12-6-8-13-7-4-2/h2H,3,5-8H2,1H3,(H3,10,11,12)
InChIKeyVQTLWEKRMUOGNV-UHFFFAOYSA-N
XLogP0.67
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 50.67
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-phenylsulfanylethyl)-2-propylguanidine;hydroiodide
CID 110911978
2-amino-N-(2-prop-2-ynylsulfanylethyl)hexanamide
CID 103950288
2-hexyl-1-(2-methylsulfanylethyl)guanidine
CID 111030352
2-(aminomethyl)-2-methyl-N-(2-prop-2-ynylsulfanylethyl)butanamide
CID 106427791
1-cyclohexyl-2-(2-prop-2-ynylsulfanylethyl)guanidine
CID 103734493
3-amino-3-methyl-N-(2-prop-2-ynylsulfanylethyl)butanamide
CID 106428040
N-[3-[(N'-propylcarbamimidoyl)amino]propyl]cyclobutanecarboxamide
CID 111752274
1-(3-cyclopropylpropyl)-2-propylguanidine
CID 115679595
5-[(N'-propylcarbamimidoyl)amino]pentanoic acid
CID 163528176
1-but-3-yn-2-yl-2-propylguanidine
CID 114393547
2-methyl-3-(methylamino)-N-(2-prop-2-ynylsulfanylethyl)propanamide
CID 106427911
N-(2-prop-2-ynylsulfanylethyl)prop-2-enamide
CID 106427081

Frequently Asked Questions

What is the IUPAC name of 2-propyl-1-(2-prop-2-ynylsulfanylethyl)guanidine?
The IUPAC name of 2-propyl-1-(2-prop-2-ynylsulfanylethyl)guanidine (CID 103734491) is 2-propyl-1-(2-prop-2-ynylsulfanylethyl)guanidine.
What is the SMILES notation for 2-propyl-1-(2-prop-2-ynylsulfanylethyl)guanidine?
The canonical SMILES for 2-propyl-1-(2-prop-2-ynylsulfanylethyl)guanidine is C#CCSCCN/C(N)=N/CCC.
What is the InChIKey of 2-propyl-1-(2-prop-2-ynylsulfanylethyl)guanidine?
The InChIKey is VQTLWEKRMUOGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-3-5-11-9(10)12-6-8-13-7-4-2/h2H,3,5-8H2,1H3,(H3,10,11,12).
What are the key properties of 2-propyl-1-(2-prop-2-ynylsulfanylethyl)guanidine?
2-propyl-1-(2-prop-2-ynylsulfanylethyl)guanidine has a molecular weight of 199.32 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1-(2-prop-2-ynylsulfanylethyl)guanidine is sourced from PubChem (CID 103734491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).