1-amino-3-cyclohexyl-2-(3-methylsulfanylpropyl)guanidine

C11H24N4S — CID 104886471

IUPAC1-amino-3-cyclohexyl-2-(3-methylsulfanylpropyl)guanidine
SMILESCSCCC/N=C(\NN)NC1CCCCC1
InChIInChI=1S/C11H24N4S/c1-16-9-5-8-13-11(15-12)14-10-6-3-2-4-7-10/h10H,2-9,12H2,1H3,(H2,13,14,15)
InChIKeyLMGUDPSUORYEED-UHFFFAOYSA-N
MW244.41 g/mol
LogP1.48
Rot. Bonds5

About 1-amino-3-cyclohexyl-2-(3-methylsulfanylpropyl)guanidine

1-amino-3-cyclohexyl-2-(3-methylsulfanylpropyl)guanidine (PubChem CID 104886471) has the molecular formula C11H24N4S and a molecular weight of 244.41 g/mol. Its IUPAC name is 1-amino-3-cyclohexyl-2-(3-methylsulfanylpropyl)guanidine.

Molecular Properties

Compound Name1-amino-3-cyclohexyl-2-(3-methylsulfanylpropyl)guanidine
PubChem CID104886471
Molecular FormulaC11H24N4S
Molecular Weight244.41 g/mol
Exact Mass244.17
IUPAC Name1-amino-3-cyclohexyl-2-(3-methylsulfanylpropyl)guanidine
SMILESCSCCC/N=C(\NN)NC1CCCCC1
InChIInChI=1S/C11H24N4S/c1-16-9-5-8-13-11(15-12)14-10-6-3-2-4-7-10/h10H,2-9,12H2,1H3,(H2,13,14,15)
InChIKeyLMGUDPSUORYEED-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

2-[3-[bis(cyclohexylamino)methylideneamino]propyl]-1,3-dicyclohexylguanidine
CID 20762626
1-amino-2-(3-cyclopentylpropyl)-3-cyclopropylguanidine
CID 106013169
1-amino-2-(2-cyclohexylethyl)-3-cyclopropylguanidine
CID 104884183
1,3-dicyclohexyl-2-pentylguanidine
CID 118030780
1-amino-3-cyclopentyl-2-(cyclopentylmethyl)guanidine
CID 104883783
1-cyclopropyl-2-(4-methylsulfanylbutyl)guanidine
CID 111435809
1,3-dicyclohexyl-2-octylguanidine;hydrochloride
CID 14771737
1-amino-3-cyclopropyl-2-[3-(diethylamino)propyl]guanidine
CID 104883068
1-amino-2-(3-methoxypropyl)-3-(1-methylpiperidin-4-yl)guanidine
CID 104883732
1-cyclopropyl-2-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111435808
N-tert-butyl-3-[[(cyclopentylamino)-hydrazinylmethylidene]amino]propanamide
CID 104888342
3-[[(cyclopentylamino)-hydrazinylmethylidene]amino]-N,N-diethylpropanamide
CID 104888371

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclohexyl-2-(3-methylsulfanylpropyl)guanidine?
The IUPAC name of 1-amino-3-cyclohexyl-2-(3-methylsulfanylpropyl)guanidine (CID 104886471) is 1-amino-3-cyclohexyl-2-(3-methylsulfanylpropyl)guanidine.
What is the SMILES notation for 1-amino-3-cyclohexyl-2-(3-methylsulfanylpropyl)guanidine?
The canonical SMILES for 1-amino-3-cyclohexyl-2-(3-methylsulfanylpropyl)guanidine is CSCCC/N=C(\NN)NC1CCCCC1.
What is the InChIKey of 1-amino-3-cyclohexyl-2-(3-methylsulfanylpropyl)guanidine?
The InChIKey is LMGUDPSUORYEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4S/c1-16-9-5-8-13-11(15-12)14-10-6-3-2-4-7-10/h10H,2-9,12H2,1H3,(H2,13,14,15).
What are the key properties of 1-amino-3-cyclohexyl-2-(3-methylsulfanylpropyl)guanidine?
1-amino-3-cyclohexyl-2-(3-methylsulfanylpropyl)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-3-cyclohexyl-2-(3-methylsulfanylpropyl)guanidine is sourced from PubChem (CID 104886471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).