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

C11H18N4S — CID 116513900

IUPAC1-amino-2-cyclopropyl-3-(1-thiophen-2-ylpropyl)guanidine
SMILESCCC(N/C(=N/C1CC1)NN)c1cccs1
InChIInChI=1S/C11H18N4S/c1-2-9(10-4-3-7-16-10)14-11(15-12)13-8-5-6-8/h3-4,7-9H,2,5-6,12H2,1H3,(H2,13,14,15)
InChIKeyUXNYUHFYUDMQCN-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.77
Rot. Bonds4

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

1-amino-2-cyclopropyl-3-(1-thiophen-2-ylpropyl)guanidine (PubChem CID 116513900) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is 1-amino-2-cyclopropyl-3-(1-thiophen-2-ylpropyl)guanidine.

Molecular Properties

Compound Name1-amino-2-cyclopropyl-3-(1-thiophen-2-ylpropyl)guanidine
PubChem CID116513900
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Name1-amino-2-cyclopropyl-3-(1-thiophen-2-ylpropyl)guanidine
SMILESCCC(N/C(=N/C1CC1)NN)c1cccs1
InChIInChI=1S/C11H18N4S/c1-2-9(10-4-3-7-16-10)14-11(15-12)13-8-5-6-8/h3-4,7-9H,2,5-6,12H2,1H3,(H2,13,14,15)
InChIKeyUXNYUHFYUDMQCN-UHFFFAOYSA-N
XLogP1.77
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.77
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
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
2-bromo-N-(1-thiophen-2-ylpropyl)acetamide
CID 63678603
2-propyl-1-(1-thiophen-2-ylpropyl)guanidine
CID 62362455
1-amino-3-propan-2-yl-2-(1-thiophen-2-ylpropyl)guanidine
CID 116513897
2-methyl-N-(1-thiophen-2-ylpropyl)propanamide
CID 61073106
1-(1-thiophen-2-ylpropylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62096618
N-[cyclopropyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 54983030
3-methyl-N-(1-thiophen-2-ylpropyl)piperidine-1-carboxamide
CID 60547129

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclopropyl-3-(1-thiophen-2-ylpropyl)guanidine?
The IUPAC name of 1-amino-2-cyclopropyl-3-(1-thiophen-2-ylpropyl)guanidine (CID 116513900) is 1-amino-2-cyclopropyl-3-(1-thiophen-2-ylpropyl)guanidine.
What is the SMILES notation for 1-amino-2-cyclopropyl-3-(1-thiophen-2-ylpropyl)guanidine?
The canonical SMILES for 1-amino-2-cyclopropyl-3-(1-thiophen-2-ylpropyl)guanidine is CCC(N/C(=N/C1CC1)NN)c1cccs1.
What is the InChIKey of 1-amino-2-cyclopropyl-3-(1-thiophen-2-ylpropyl)guanidine?
The InChIKey is UXNYUHFYUDMQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-2-9(10-4-3-7-16-10)14-11(15-12)13-8-5-6-8/h3-4,7-9H,2,5-6,12H2,1H3,(H2,13,14,15).
What are the key properties of 1-amino-2-cyclopropyl-3-(1-thiophen-2-ylpropyl)guanidine?
1-amino-2-cyclopropyl-3-(1-thiophen-2-ylpropyl)guanidine has a molecular weight of 238.36 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclopropyl-3-(1-thiophen-2-ylpropyl)guanidine is sourced from PubChem (CID 116513900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).