1-(cyclobutylmethyl)-2-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]guanidine

C18H30N4 — CID 111029516

IUPAC1-(cyclobutylmethyl)-2-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]guanidine
SMILESCCc1ccc(C(C/N=C(\N)NCC2CCC2)N(C)C)cc1
InChIInChI=1S/C18H30N4/c1-4-14-8-10-16(11-9-14)17(22(2)3)13-21-18(19)20-12-15-6-5-7-15/h8-11,15,17H,4-7,12-13H2,1-3H3,(H3,19,20,21)
InChIKeyRIEIPLSYNJCSJN-UHFFFAOYSA-N
MW302.47 g/mol
LogP2.56
Rot. Bonds7

About 1-(cyclobutylmethyl)-2-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]guanidine

1-(cyclobutylmethyl)-2-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]guanidine (PubChem CID 111029516) has the molecular formula C18H30N4 and a molecular weight of 302.47 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-2-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]guanidine.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-2-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]guanidine
PubChem CID111029516
Molecular FormulaC18H30N4
Molecular Weight302.47 g/mol
Exact Mass302.25
IUPAC Name1-(cyclobutylmethyl)-2-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]guanidine
SMILESCCc1ccc(C(C/N=C(\N)NCC2CCC2)N(C)C)cc1
InChIInChI=1S/C18H30N4/c1-4-14-8-10-16(11-9-14)17(22(2)3)13-21-18(19)20-12-15-6-5-7-15/h8-11,15,17H,4-7,12-13H2,1-3H3,(H3,19,20,21)
InChIKeyRIEIPLSYNJCSJN-UHFFFAOYSA-N
XLogP2.56
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 52.56
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

2-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 110924771
2-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 136924607
1-(cyclobutylmethyl)-2-[2-(N-methylanilino)propyl]guanidine;hydroiodide
CID 111056450
ethyl 4-[[N'-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111029513
1-(cyclobutylmethyl)-2-(3-methyl-2-phenylbutyl)guanidine
CID 111069108
1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111504017
1-(cyclobutylmethyl)-2-(2-hydroxy-3-phenylpropyl)guanidine
CID 111099830
1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]guanidine
CID 111029512
1-(cyclobutylmethyl)-2-[(4-fluorophenyl)methyl]guanidine
CID 111025727
2-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109385004
1-butyl-2-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]guanidine
CID 95329279
1-cyclohexyl-2-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]guanidine;hydroiodide
CID 111074110

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-2-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]guanidine?
The IUPAC name of 1-(cyclobutylmethyl)-2-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]guanidine (CID 111029516) is 1-(cyclobutylmethyl)-2-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]guanidine.
What is the SMILES notation for 1-(cyclobutylmethyl)-2-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]guanidine?
The canonical SMILES for 1-(cyclobutylmethyl)-2-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]guanidine is CCc1ccc(C(C/N=C(\N)NCC2CCC2)N(C)C)cc1.
What is the InChIKey of 1-(cyclobutylmethyl)-2-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]guanidine?
The InChIKey is RIEIPLSYNJCSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4/c1-4-14-8-10-16(11-9-14)17(22(2)3)13-21-18(19)20-12-15-6-5-7-15/h8-11,15,17H,4-7,12-13H2,1-3H3,(H3,19,20,21).
What are the key properties of 1-(cyclobutylmethyl)-2-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]guanidine?
1-(cyclobutylmethyl)-2-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]guanidine has a molecular weight of 302.47 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-2-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]guanidine is sourced from PubChem (CID 111029516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).