1-[5-(diethylamino)pentan-2-yl]-2-ethyl-3-(2-phenylcyclopropyl)guanidine

C21H36N4 — CID 111000173

IUPAC1-[5-(diethylamino)pentan-2-yl]-2-ethyl-3-(2-phenylcyclopropyl)guanidine
SMILESCC/N=C(\NC(C)CCCN(CC)CC)NC1CC1c1ccccc1
InChIInChI=1S/C21H36N4/c1-5-22-21(23-17(4)12-11-15-25(6-2)7-3)24-20-16-19(20)18-13-9-8-10-14-18/h8-10,13-14,17,19-20H,5-7,11-12,15-16H2,1-4H3,(H2,22,23,24)
InChIKeyUMLDTWQWZLPSHB-UHFFFAOYSA-N
MW344.55 g/mol
LogP3.61
Rot. Bonds10

About 1-[5-(diethylamino)pentan-2-yl]-2-ethyl-3-(2-phenylcyclopropyl)guanidine

1-[5-(diethylamino)pentan-2-yl]-2-ethyl-3-(2-phenylcyclopropyl)guanidine (PubChem CID 111000173) has the molecular formula C21H36N4 and a molecular weight of 344.55 g/mol. Its IUPAC name is 1-[5-(diethylamino)pentan-2-yl]-2-ethyl-3-(2-phenylcyclopropyl)guanidine.

Molecular Properties

Compound Name1-[5-(diethylamino)pentan-2-yl]-2-ethyl-3-(2-phenylcyclopropyl)guanidine
PubChem CID111000173
Molecular FormulaC21H36N4
Molecular Weight344.55 g/mol
Exact Mass344.29
IUPAC Name1-[5-(diethylamino)pentan-2-yl]-2-ethyl-3-(2-phenylcyclopropyl)guanidine
SMILESCC/N=C(\NC(C)CCCN(CC)CC)NC1CC1c1ccccc1
InChIInChI=1S/C21H36N4/c1-5-22-21(23-17(4)12-11-15-25(6-2)7-3)24-20-16-19(20)18-13-9-8-10-14-18/h8-10,13-14,17,19-20H,5-7,11-12,15-16H2,1-4H3,(H2,22,23,24)
InChIKeyUMLDTWQWZLPSHB-UHFFFAOYSA-N
XLogP3.61
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.55
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

1-butan-2-yl-2-ethyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 110946243
1-[2-(4-bromophenyl)cyclopropyl]-3-[5-(diethylamino)pentan-2-yl]-2-methylguanidine;hydroiodide
CID 110999182
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine
CID 111771448
1,2-diethyl-3-(2-phenylcyclopropyl)guanidine
CID 47091817
1-tert-butyl-2-ethyl-3-(2-phenylcyclopropyl)guanidine
CID 110967358
1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-propan-2-ylguanidine;hydroiodide
CID 111772039
2-ethyl-1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 111382488
1-ethyl-2-(2-methylpropyl)-3-(2-phenylcyclopropyl)guanidine
CID 111180959
N'-ethyl-N-(2-phenylcyclopropyl)pyrrolidine-1-carboximidamide
CID 110956792
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[(2-phenyloxan-3-yl)methyl]guanidine;hydroiodide
CID 111000076
N-benzyl-3-[[[5-(diethylamino)pentan-2-ylamino]-(ethylamino)methylidene]amino]propanamide
CID 110998809
1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(2-phenylcyclopropyl)guanidine
CID 109408416

Frequently Asked Questions

What is the IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-2-ethyl-3-(2-phenylcyclopropyl)guanidine?
The IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-2-ethyl-3-(2-phenylcyclopropyl)guanidine (CID 111000173) is 1-[5-(diethylamino)pentan-2-yl]-2-ethyl-3-(2-phenylcyclopropyl)guanidine.
What is the SMILES notation for 1-[5-(diethylamino)pentan-2-yl]-2-ethyl-3-(2-phenylcyclopropyl)guanidine?
The canonical SMILES for 1-[5-(diethylamino)pentan-2-yl]-2-ethyl-3-(2-phenylcyclopropyl)guanidine is CC/N=C(\NC(C)CCCN(CC)CC)NC1CC1c1ccccc1.
What is the InChIKey of 1-[5-(diethylamino)pentan-2-yl]-2-ethyl-3-(2-phenylcyclopropyl)guanidine?
The InChIKey is UMLDTWQWZLPSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4/c1-5-22-21(23-17(4)12-11-15-25(6-2)7-3)24-20-16-19(20)18-13-9-8-10-14-18/h8-10,13-14,17,19-20H,5-7,11-12,15-16H2,1-4H3,(H2,22,23,24).
What are the key properties of 1-[5-(diethylamino)pentan-2-yl]-2-ethyl-3-(2-phenylcyclopropyl)guanidine?
1-[5-(diethylamino)pentan-2-yl]-2-ethyl-3-(2-phenylcyclopropyl)guanidine has a molecular weight of 344.55 g/mol, XLogP of 3.61, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(diethylamino)pentan-2-yl]-2-ethyl-3-(2-phenylcyclopropyl)guanidine is sourced from PubChem (CID 111000173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).