1-amino-2-cyclopentyl-3-(1-methylsulfanylbutan-2-yl)guanidine

C11H24N4S — CID 104889083

IUPAC1-amino-2-cyclopentyl-3-(1-methylsulfanylbutan-2-yl)guanidine
SMILESCCC(CSC)N/C(=N/C1CCCC1)NN
InChIInChI=1S/C11H24N4S/c1-3-9(8-16-2)13-11(15-12)14-10-6-4-5-7-10/h9-10H,3-8,12H2,1-2H3,(H2,13,14,15)
InChIKeyMJISBUYWFBFAMU-UHFFFAOYSA-N
MW244.41 g/mol
LogP1.48
Rot. Bonds5

About 1-amino-2-cyclopentyl-3-(1-methylsulfanylbutan-2-yl)guanidine

1-amino-2-cyclopentyl-3-(1-methylsulfanylbutan-2-yl)guanidine (PubChem CID 104889083) has the molecular formula C11H24N4S and a molecular weight of 244.41 g/mol. Its IUPAC name is 1-amino-2-cyclopentyl-3-(1-methylsulfanylbutan-2-yl)guanidine.

Molecular Properties

Compound Name1-amino-2-cyclopentyl-3-(1-methylsulfanylbutan-2-yl)guanidine
PubChem CID104889083
Molecular FormulaC11H24N4S
Molecular Weight244.41 g/mol
Exact Mass244.17
IUPAC Name1-amino-2-cyclopentyl-3-(1-methylsulfanylbutan-2-yl)guanidine
SMILESCCC(CSC)N/C(=N/C1CCCC1)NN
InChIInChI=1S/C11H24N4S/c1-3-9(8-16-2)13-11(15-12)14-10-6-4-5-7-10/h9-10H,3-8,12H2,1-2H3,(H2,13,14,15)
InChIKeyMJISBUYWFBFAMU-UHFFFAOYSA-N
XLogP1.48
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-2-(2-methylpropyl)-3-(1-methylsulfanylbutan-2-yl)guanidine
CID 104889085
1-amino-2-cyclohexyl-3-(1-phenylpropyl)guanidine
CID 116513637
1-amino-2-cyclopentyl-3-(1-methylsulfonylpropan-2-yl)guanidine
CID 104886695
1-amino-2-cyclohexyl-3-(1-thiophen-2-ylpropyl)guanidine
CID 116513895
2-cyclopentyl-1-(1-hydroxybutan-2-yl)guanidine
CID 62362767
N-amino-N'-cyclopentyl-2-methylbutanimidamide
CID 61361320
1-amino-2-cyclopropyl-3-(4-ethylsulfanylbutan-2-yl)guanidine
CID 104889027
2-cyclopentyl-1-hexan-3-ylguanidine
CID 62362532
1-amino-2-cyclopropyl-3-(5-methylhexan-2-yl)guanidine
CID 104886508
N-amino-N'-cycloheptyl-2-methylbutanimidamide
CID 61361542
1-amino-2-cyclohexyl-3-(2-methylpentan-2-yl)guanidine
CID 104888558
1-amino-2-cyclohexyl-3-(1-phenylpropan-2-yl)guanidine
CID 116515036

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclopentyl-3-(1-methylsulfanylbutan-2-yl)guanidine?
The IUPAC name of 1-amino-2-cyclopentyl-3-(1-methylsulfanylbutan-2-yl)guanidine (CID 104889083) is 1-amino-2-cyclopentyl-3-(1-methylsulfanylbutan-2-yl)guanidine.
What is the SMILES notation for 1-amino-2-cyclopentyl-3-(1-methylsulfanylbutan-2-yl)guanidine?
The canonical SMILES for 1-amino-2-cyclopentyl-3-(1-methylsulfanylbutan-2-yl)guanidine is CCC(CSC)N/C(=N/C1CCCC1)NN.
What is the InChIKey of 1-amino-2-cyclopentyl-3-(1-methylsulfanylbutan-2-yl)guanidine?
The InChIKey is MJISBUYWFBFAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4S/c1-3-9(8-16-2)13-11(15-12)14-10-6-4-5-7-10/h9-10H,3-8,12H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-amino-2-cyclopentyl-3-(1-methylsulfanylbutan-2-yl)guanidine?
1-amino-2-cyclopentyl-3-(1-methylsulfanylbutan-2-yl)guanidine has a molecular weight of 244.41 g/mol, XLogP of 1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclopentyl-3-(1-methylsulfanylbutan-2-yl)guanidine is sourced from PubChem (CID 104889083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).