1-ethyl-3-(2-methylcyclopropyl)-2-[4-(2-phenylethoxy)butyl]guanidine

C19H31N3O — CID 111961129

IUPAC1-ethyl-3-(2-methylcyclopropyl)-2-[4-(2-phenylethoxy)butyl]guanidine
SMILESCCN/C(=N\CCCCOCCc1ccccc1)NC1CC1C
InChIInChI=1S/C19H31N3O/c1-3-20-19(22-18-15-16(18)2)21-12-7-8-13-23-14-11-17-9-5-4-6-10-17/h4-6,9-10,16,18H,3,7-8,11-15H2,1-2H3,(H2,20,21,22)
InChIKeyWFVIFCDNFJRVKH-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.99
Rot. Bonds10

About 1-ethyl-3-(2-methylcyclopropyl)-2-[4-(2-phenylethoxy)butyl]guanidine

1-ethyl-3-(2-methylcyclopropyl)-2-[4-(2-phenylethoxy)butyl]guanidine (PubChem CID 111961129) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 1-ethyl-3-(2-methylcyclopropyl)-2-[4-(2-phenylethoxy)butyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-(2-methylcyclopropyl)-2-[4-(2-phenylethoxy)butyl]guanidine
PubChem CID111961129
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name1-ethyl-3-(2-methylcyclopropyl)-2-[4-(2-phenylethoxy)butyl]guanidine
SMILESCCN/C(=N\CCCCOCCc1ccccc1)NC1CC1C
InChIInChI=1S/C19H31N3O/c1-3-20-19(22-18-15-16(18)2)21-12-7-8-13-23-14-11-17-9-5-4-6-10-17/h4-6,9-10,16,18H,3,7-8,11-15H2,1-2H3,(H2,20,21,22)
InChIKeyWFVIFCDNFJRVKH-UHFFFAOYSA-N
XLogP2.99
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

1-ethyl-3-(2-methylcyclopropyl)-2-(4-phenylmethoxybutyl)guanidine;hydroiodide
CID 111962110
1-cyclopropyl-3-ethyl-2-[3-(2-phenylethoxy)propyl]guanidine
CID 110989421
1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[4-(2-phenylethoxy)butyl]guanidine
CID 110987168
1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[4-(2-phenylethoxy)butyl]guanidine;hydroiodide
CID 110987167
1-ethyl-2-[4-(2-methoxyethoxy)butyl]-3-(2-methylcyclopropyl)guanidine
CID 111962055
1-ethyl-3-(4-hydroxycyclohexyl)-2-[3-(2-phenylethoxy)propyl]guanidine;hydroiodide
CID 111190623
N-[2-[[N-ethyl-N'-[4-(2-phenylethoxy)butyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111926996
1-ethyl-3-(2-methoxyethyl)-2-[4-(2-phenylethoxy)butyl]guanidine;hydroiodide
CID 110942179
1-ethyl-3-[4-(2-phenylethoxy)butyl]-2-propylguanidine
CID 111227861
1,3-diethyl-2-(4-phenylmethoxybutyl)guanidine
CID 110917028
1-ethyl-2-[4-(N-methylanilino)butyl]-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111961606
N-ethyl-4-methyl-N'-[4-(2-phenylethoxy)butyl]piperidine-1-carboximidamide;hydroiodide
CID 111211666

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methylcyclopropyl)-2-[4-(2-phenylethoxy)butyl]guanidine?
The IUPAC name of 1-ethyl-3-(2-methylcyclopropyl)-2-[4-(2-phenylethoxy)butyl]guanidine (CID 111961129) is 1-ethyl-3-(2-methylcyclopropyl)-2-[4-(2-phenylethoxy)butyl]guanidine.
What is the SMILES notation for 1-ethyl-3-(2-methylcyclopropyl)-2-[4-(2-phenylethoxy)butyl]guanidine?
The canonical SMILES for 1-ethyl-3-(2-methylcyclopropyl)-2-[4-(2-phenylethoxy)butyl]guanidine is CCN/C(=N\CCCCOCCc1ccccc1)NC1CC1C.
What is the InChIKey of 1-ethyl-3-(2-methylcyclopropyl)-2-[4-(2-phenylethoxy)butyl]guanidine?
The InChIKey is WFVIFCDNFJRVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-3-20-19(22-18-15-16(18)2)21-12-7-8-13-23-14-11-17-9-5-4-6-10-17/h4-6,9-10,16,18H,3,7-8,11-15H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-ethyl-3-(2-methylcyclopropyl)-2-[4-(2-phenylethoxy)butyl]guanidine?
1-ethyl-3-(2-methylcyclopropyl)-2-[4-(2-phenylethoxy)butyl]guanidine has a molecular weight of 317.48 g/mol, XLogP of 2.99, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methylcyclopropyl)-2-[4-(2-phenylethoxy)butyl]guanidine is sourced from PubChem (CID 111961129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).