1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-ethyl-2-[(3-methylthiophen-2-yl)methyl]guanidine

C18H30N4S — CID 111893209

IUPAC1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-ethyl-2-[(3-methylthiophen-2-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1sccc1C)NCCN(CC1CC1)C1CC1
InChIInChI=1S/C18H30N4S/c1-3-19-18(21-12-17-14(2)8-11-23-17)20-9-10-22(16-6-7-16)13-15-4-5-15/h8,11,15-16H,3-7,9-10,12-13H2,1-2H3,(H2,19,20,21)
InChIKeyFTDFFZOQANDTFC-UHFFFAOYSA-N
MW334.53 g/mol
LogP2.99
Rot. Bonds9

About 1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-ethyl-2-[(3-methylthiophen-2-yl)methyl]guanidine

1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-ethyl-2-[(3-methylthiophen-2-yl)methyl]guanidine (PubChem CID 111893209) has the molecular formula C18H30N4S and a molecular weight of 334.53 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-ethyl-2-[(3-methylthiophen-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-ethyl-2-[(3-methylthiophen-2-yl)methyl]guanidine
PubChem CID111893209
Molecular FormulaC18H30N4S
Molecular Weight334.53 g/mol
Exact Mass334.22
IUPAC Name1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-ethyl-2-[(3-methylthiophen-2-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1sccc1C)NCCN(CC1CC1)C1CC1
InChIInChI=1S/C18H30N4S/c1-3-19-18(21-12-17-14(2)8-11-23-17)20-9-10-22(16-6-7-16)13-15-4-5-15/h8,11,15-16H,3-7,9-10,12-13H2,1-2H3,(H2,19,20,21)
InChIKeyFTDFFZOQANDTFC-UHFFFAOYSA-N
XLogP2.99
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.53
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[N-ethyl-N'-[(3-methylthiophen-2-yl)methyl]carbamimidoyl]amino]ethyl]acetamide
CID 111892765
2-cyclohexyl-N-[2-[[N-ethyl-N'-[(3-methylthiophen-2-yl)methyl]carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111893672
N-[2-[[N-ethyl-N'-[(3-methylthiophen-2-yl)methyl]carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111892764
1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-ethyl-2-(2-hydroxy-2-phenylpropyl)guanidine
CID 109418138
1-ethyl-2-[(3-methylthiophen-2-yl)methyl]-3-pent-3-enylguanidine
CID 111587983
1-ethyl-2-[(3-methylthiophen-2-yl)methyl]-3-(2-sulfamoylethyl)guanidine
CID 111893633
methyl 3-[[N-ethyl-N'-[(3-methylthiophen-2-yl)methyl]carbamimidoyl]amino]propanoate
CID 111893901
1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-ethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111015828
N,N-diethyl-3-[[N-ethyl-N'-[(3-methylthiophen-2-yl)methyl]carbamimidoyl]amino]propanamide
CID 111893717
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-ethyl-2-[(2-methylphenyl)methyl]guanidine
CID 111360467
1-ethyl-3-[(1-hydroxycyclopentyl)methyl]-2-[(3-methylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111999404
1-ethyl-3-[2-(3-methylpiperidin-1-yl)ethyl]-2-[(3-methylthiophen-2-yl)methyl]guanidine
CID 111893711

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-ethyl-2-[(3-methylthiophen-2-yl)methyl]guanidine?
The IUPAC name of 1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-ethyl-2-[(3-methylthiophen-2-yl)methyl]guanidine (CID 111893209) is 1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-ethyl-2-[(3-methylthiophen-2-yl)methyl]guanidine.
What is the SMILES notation for 1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-ethyl-2-[(3-methylthiophen-2-yl)methyl]guanidine?
The canonical SMILES for 1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-ethyl-2-[(3-methylthiophen-2-yl)methyl]guanidine is CCN/C(=N\Cc1sccc1C)NCCN(CC1CC1)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-ethyl-2-[(3-methylthiophen-2-yl)methyl]guanidine?
The InChIKey is FTDFFZOQANDTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4S/c1-3-19-18(21-12-17-14(2)8-11-23-17)20-9-10-22(16-6-7-16)13-15-4-5-15/h8,11,15-16H,3-7,9-10,12-13H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-ethyl-2-[(3-methylthiophen-2-yl)methyl]guanidine?
1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-ethyl-2-[(3-methylthiophen-2-yl)methyl]guanidine has a molecular weight of 334.53 g/mol, XLogP of 2.99, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-ethyl-2-[(3-methylthiophen-2-yl)methyl]guanidine is sourced from PubChem (CID 111893209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).