N-[3-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide

C15H24N4OS — CID 111752382

IUPACN-[3-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide
SMILESN/C(=N\CCCNC(=O)C1CCC1)NCCc1cccs1
InChIInChI=1S/C15H24N4OS/c16-15(19-10-7-13-6-2-11-21-13)18-9-3-8-17-14(20)12-4-1-5-12/h2,6,11-12H,1,3-5,7-10H2,(H,17,20)(H3,16,18,19)
InChIKeyAJDDXRYREBLAPP-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.50
Rot. Bonds8

About N-[3-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide

N-[3-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide (PubChem CID 111752382) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is N-[3-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide
PubChem CID111752382
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC NameN-[3-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide
SMILESN/C(=N\CCCNC(=O)C1CCC1)NCCc1cccs1
InChIInChI=1S/C15H24N4OS/c16-15(19-10-7-13-6-2-11-21-13)18-9-3-8-17-14(20)12-4-1-5-12/h2,6,11-12H,1,3-5,7-10H2,(H,17,20)(H3,16,18,19)
InChIKeyAJDDXRYREBLAPP-UHFFFAOYSA-N
XLogP1.50
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[3-[cyclohexyl(methyl)amino]propyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111057350
2-(3-cyclopentyloxypropyl)-1-(2-thiophen-2-ylethyl)guanidine
CID 111089993
2-butyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111023170
4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784485
N-[3-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide
CID 111752286
2-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 122098466
2-pentyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111022609
4-(aminomethyl)-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
CID 79527612
N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide;hydrochloride
CID 119270431
N-[2-(2-thiophen-2-ylethylamino)ethyl]cyclopropanecarboxamide
CID 115599497
2-[4-(4-methylpiperazin-1-yl)butyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111060171
2-(3-phenylpropyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111024901

Frequently Asked Questions

What is the IUPAC name of N-[3-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide (CID 111752382) is N-[3-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide is N/C(=N\CCCNC(=O)C1CCC1)NCCc1cccs1.
What is the InChIKey of N-[3-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide?
The InChIKey is AJDDXRYREBLAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c16-15(19-10-7-13-6-2-11-21-13)18-9-3-8-17-14(20)12-4-1-5-12/h2,6,11-12H,1,3-5,7-10H2,(H,17,20)(H3,16,18,19).
What are the key properties of N-[3-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide?
N-[3-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide has a molecular weight of 308.45 g/mol, XLogP of 1.50, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide is sourced from PubChem (CID 111752382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).