1-amino-2-cyclohexyl-3-(2-methyl-1-thiophen-2-ylpropyl)guanidine

C15H26N4S — CID 116514133

IUPAC1-amino-2-cyclohexyl-3-(2-methyl-1-thiophen-2-ylpropyl)guanidine
SMILESCC(C)C(N/C(=N/C1CCCCC1)NN)c1cccs1
InChIInChI=1S/C15H26N4S/c1-11(2)14(13-9-6-10-20-13)18-15(19-16)17-12-7-4-3-5-8-12/h6,9-12,14H,3-5,7-8,16H2,1-2H3,(H2,17,18,19)
InChIKeyCTXQDCWOCKXCMB-UHFFFAOYSA-N
MW294.47 g/mol
LogP3.19
Rot. Bonds4

About 1-amino-2-cyclohexyl-3-(2-methyl-1-thiophen-2-ylpropyl)guanidine

1-amino-2-cyclohexyl-3-(2-methyl-1-thiophen-2-ylpropyl)guanidine (PubChem CID 116514133) has the molecular formula C15H26N4S and a molecular weight of 294.47 g/mol. Its IUPAC name is 1-amino-2-cyclohexyl-3-(2-methyl-1-thiophen-2-ylpropyl)guanidine.

Molecular Properties

Compound Name1-amino-2-cyclohexyl-3-(2-methyl-1-thiophen-2-ylpropyl)guanidine
PubChem CID116514133
Molecular FormulaC15H26N4S
Molecular Weight294.47 g/mol
Exact Mass294.19
IUPAC Name1-amino-2-cyclohexyl-3-(2-methyl-1-thiophen-2-ylpropyl)guanidine
SMILESCC(C)C(N/C(=N/C1CCCCC1)NN)c1cccs1
InChIInChI=1S/C15H26N4S/c1-11(2)14(13-9-6-10-20-13)18-15(19-16)17-12-7-4-3-5-8-12/h6,9-12,14H,3-5,7-8,16H2,1-2H3,(H2,17,18,19)
InChIKeyCTXQDCWOCKXCMB-UHFFFAOYSA-N
XLogP3.19
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 53.19
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-cyclohexyl-3-(1-thiophen-2-ylpropyl)guanidine
CID 116513895
1-amino-2-cyclopropyl-3-(1-thiophen-2-ylpropyl)guanidine
CID 116513900
1-amino-2-cyclohexyl-3-(1-phenylpropan-2-yl)guanidine
CID 116515036
N-(2-methyl-1-thiophen-2-ylpropyl)cyclooctanamine
CID 43225879
1-amino-2-cyclohexyl-3-[1-(2,5-dimethylthiophen-3-yl)ethyl]guanidine
CID 116514079
2-cyclopentyl-1-(1-thiophen-2-ylpropyl)guanidine
CID 62370226
1-amino-2-cyclohexyl-3-(1-phenylpropyl)guanidine
CID 116513637
1-amino-2-(2-methyl-1-thiophen-2-ylpropyl)-3-propan-2-ylguanidine
CID 116514136
2-[(2-methyl-1-thiophen-2-ylpropyl)amino]cycloheptan-1-ol
CID 54963529
2-cyclopentyl-1-(1-thiophen-2-ylbutyl)guanidine
CID 62370058
N-(cyclohexylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43225929
2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 63681207

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclohexyl-3-(2-methyl-1-thiophen-2-ylpropyl)guanidine?
The IUPAC name of 1-amino-2-cyclohexyl-3-(2-methyl-1-thiophen-2-ylpropyl)guanidine (CID 116514133) is 1-amino-2-cyclohexyl-3-(2-methyl-1-thiophen-2-ylpropyl)guanidine.
What is the SMILES notation for 1-amino-2-cyclohexyl-3-(2-methyl-1-thiophen-2-ylpropyl)guanidine?
The canonical SMILES for 1-amino-2-cyclohexyl-3-(2-methyl-1-thiophen-2-ylpropyl)guanidine is CC(C)C(N/C(=N/C1CCCCC1)NN)c1cccs1.
What is the InChIKey of 1-amino-2-cyclohexyl-3-(2-methyl-1-thiophen-2-ylpropyl)guanidine?
The InChIKey is CTXQDCWOCKXCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S/c1-11(2)14(13-9-6-10-20-13)18-15(19-16)17-12-7-4-3-5-8-12/h6,9-12,14H,3-5,7-8,16H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-amino-2-cyclohexyl-3-(2-methyl-1-thiophen-2-ylpropyl)guanidine?
1-amino-2-cyclohexyl-3-(2-methyl-1-thiophen-2-ylpropyl)guanidine has a molecular weight of 294.47 g/mol, XLogP of 3.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclohexyl-3-(2-methyl-1-thiophen-2-ylpropyl)guanidine is sourced from PubChem (CID 116514133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).