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

C14H24N4S — CID 116513895

IUPAC1-amino-2-cyclohexyl-3-(1-thiophen-2-ylpropyl)guanidine
SMILESCCC(N/C(=N/C1CCCCC1)NN)c1cccs1
InChIInChI=1S/C14H24N4S/c1-2-12(13-9-6-10-19-13)17-14(18-15)16-11-7-4-3-5-8-11/h6,9-12H,2-5,7-8,15H2,1H3,(H2,16,17,18)
InChIKeyRFMXXKYCKCPNHQ-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.94
Rot. Bonds4

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

1-amino-2-cyclohexyl-3-(1-thiophen-2-ylpropyl)guanidine (PubChem CID 116513895) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is 1-amino-2-cyclohexyl-3-(1-thiophen-2-ylpropyl)guanidine.

Molecular Properties

Compound Name1-amino-2-cyclohexyl-3-(1-thiophen-2-ylpropyl)guanidine
PubChem CID116513895
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC Name1-amino-2-cyclohexyl-3-(1-thiophen-2-ylpropyl)guanidine
SMILESCCC(N/C(=N/C1CCCCC1)NN)c1cccs1
InChIInChI=1S/C14H24N4S/c1-2-12(13-9-6-10-19-13)17-14(18-15)16-11-7-4-3-5-8-11/h6,9-12H,2-5,7-8,15H2,1H3,(H2,16,17,18)
InChIKeyRFMXXKYCKCPNHQ-UHFFFAOYSA-N
XLogP2.94
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.94
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'}

Analyze 1-amino-2-cyclohexyl-3-(1-thiophen-2-ylpropyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-2-cyclopropyl-3-(1-thiophen-2-ylpropyl)guanidine
CID 116513900
2-cyclopentyl-1-(1-thiophen-2-ylpropyl)guanidine
CID 62370226
1-amino-2-cyclohexyl-3-(2-methyl-1-thiophen-2-ylpropyl)guanidine
CID 116514133
1-amino-2-cyclohexyl-3-(1-phenylpropyl)guanidine
CID 116513637
2-cyclopentyl-1-(1-thiophen-2-ylbutyl)guanidine
CID 62370058
1-amino-2-cyclopropyl-3-(1-phenylpropyl)guanidine
CID 116513642
1-amino-2-cyclohexyl-3-(1-phenylpropan-2-yl)guanidine
CID 116515036
1-amino-3-propan-2-yl-2-(1-thiophen-2-ylpropyl)guanidine
CID 116513897
N-(1-thiophen-2-ylpropyl)piperidine-2-carboxamide
CID 54964031
1-amino-2-cyclopentyl-3-(1-methylsulfanylbutan-2-yl)guanidine
CID 104889083
N-[cyclopentyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43740511
1-amino-2-cyclohexyl-3-(2,6-diethylphenyl)guanidine
CID 116511634

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclohexyl-3-(1-thiophen-2-ylpropyl)guanidine?
The IUPAC name of 1-amino-2-cyclohexyl-3-(1-thiophen-2-ylpropyl)guanidine (CID 116513895) is 1-amino-2-cyclohexyl-3-(1-thiophen-2-ylpropyl)guanidine.
What is the SMILES notation for 1-amino-2-cyclohexyl-3-(1-thiophen-2-ylpropyl)guanidine?
The canonical SMILES for 1-amino-2-cyclohexyl-3-(1-thiophen-2-ylpropyl)guanidine is CCC(N/C(=N/C1CCCCC1)NN)c1cccs1.
What is the InChIKey of 1-amino-2-cyclohexyl-3-(1-thiophen-2-ylpropyl)guanidine?
The InChIKey is RFMXXKYCKCPNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-2-12(13-9-6-10-19-13)17-14(18-15)16-11-7-4-3-5-8-11/h6,9-12H,2-5,7-8,15H2,1H3,(H2,16,17,18).
What are the key properties of 1-amino-2-cyclohexyl-3-(1-thiophen-2-ylpropyl)guanidine?
1-amino-2-cyclohexyl-3-(1-thiophen-2-ylpropyl)guanidine has a molecular weight of 280.44 g/mol, XLogP of 2.94, 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-(1-thiophen-2-ylpropyl)guanidine is sourced from PubChem (CID 116513895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).