1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-[(1-ethylcyclobutyl)methyl]guanidine

C17H34N4 — CID 109469115

IUPAC1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-[(1-ethylcyclobutyl)methyl]guanidine
SMILESCCN/C(=N\CC1(CC)CCC1)NCC(C1CC1)N(C)C
InChIInChI=1S/C17H34N4/c1-5-17(10-7-11-17)13-20-16(18-6-2)19-12-15(21(3)4)14-8-9-14/h14-15H,5-13H2,1-4H3,(H2,18,19,20)
InChIKeyZWZFXWLTGWKVSV-UHFFFAOYSA-N
MW294.49 g/mol
LogP2.46
Rot. Bonds8

About 1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-[(1-ethylcyclobutyl)methyl]guanidine

1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-[(1-ethylcyclobutyl)methyl]guanidine (PubChem CID 109469115) has the molecular formula C17H34N4 and a molecular weight of 294.49 g/mol. Its IUPAC name is 1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-[(1-ethylcyclobutyl)methyl]guanidine.

Molecular Properties

Compound Name1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-[(1-ethylcyclobutyl)methyl]guanidine
PubChem CID109469115
Molecular FormulaC17H34N4
Molecular Weight294.49 g/mol
Exact Mass294.28
IUPAC Name1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-[(1-ethylcyclobutyl)methyl]guanidine
SMILESCCN/C(=N\CC1(CC)CCC1)NCC(C1CC1)N(C)C
InChIInChI=1S/C17H34N4/c1-5-17(10-7-11-17)13-20-16(18-6-2)19-12-15(21(3)4)14-8-9-14/h14-15H,5-13H2,1-4H3,(H2,18,19,20)
InChIKeyZWZFXWLTGWKVSV-UHFFFAOYSA-N
XLogP2.46
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 52.46
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-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
CID 109468705
1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[2-[ethyl(methyl)amino]ethyl]guanidine
CID 109470846
1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(2-hydroxyethyl)guanidine
CID 109469706
1-[3-(dimethylamino)propyl]-3-ethyl-2-[(1-ethylcyclobutyl)methyl]guanidine;hydroiodide
CID 109470617
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-(2-methyl-2-methylsulfanylpropyl)guanidine;hydroiodide
CID 111610225
1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]guanidine
CID 109470756
1-[2-[cyclopropyl(methyl)amino]propyl]-3-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine
CID 109477790
1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(3-fluoropropyl)guanidine;hydroiodide
CID 109470205
1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(2-hydroxy-3-phenylpropyl)guanidine;hydroiodide
CID 109469775
1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 109470405
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine
CID 110938826
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 111022063

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-[(1-ethylcyclobutyl)methyl]guanidine?
The IUPAC name of 1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-[(1-ethylcyclobutyl)methyl]guanidine (CID 109469115) is 1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-[(1-ethylcyclobutyl)methyl]guanidine.
What is the SMILES notation for 1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-[(1-ethylcyclobutyl)methyl]guanidine?
The canonical SMILES for 1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-[(1-ethylcyclobutyl)methyl]guanidine is CCN/C(=N\CC1(CC)CCC1)NCC(C1CC1)N(C)C.
What is the InChIKey of 1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-[(1-ethylcyclobutyl)methyl]guanidine?
The InChIKey is ZWZFXWLTGWKVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4/c1-5-17(10-7-11-17)13-20-16(18-6-2)19-12-15(21(3)4)14-8-9-14/h14-15H,5-13H2,1-4H3,(H2,18,19,20).
What are the key properties of 1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-[(1-ethylcyclobutyl)methyl]guanidine?
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-[(1-ethylcyclobutyl)methyl]guanidine has a molecular weight of 294.49 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-[(1-ethylcyclobutyl)methyl]guanidine is sourced from PubChem (CID 109469115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).