1-cyclopentyl-3-[2-(dimethylamino)-2-phenylethyl]-2-methylguanidine

C17H28N4 — CID 110991267

IUPAC1-cyclopentyl-3-[2-(dimethylamino)-2-phenylethyl]-2-methylguanidine
SMILESC/N=C(\NCC(c1ccccc1)N(C)C)NC1CCCC1
InChIInChI=1S/C17H28N4/c1-18-17(20-15-11-7-8-12-15)19-13-16(21(2)3)14-9-5-4-6-10-14/h4-6,9-10,15-16H,7-8,11-13H2,1-3H3,(H2,18,19,20)
InChIKeyXEZZEUJACBCQLW-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.40
Rot. Bonds5

About 1-cyclopentyl-3-[2-(dimethylamino)-2-phenylethyl]-2-methylguanidine

1-cyclopentyl-3-[2-(dimethylamino)-2-phenylethyl]-2-methylguanidine (PubChem CID 110991267) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(dimethylamino)-2-phenylethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(dimethylamino)-2-phenylethyl]-2-methylguanidine
PubChem CID110991267
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name1-cyclopentyl-3-[2-(dimethylamino)-2-phenylethyl]-2-methylguanidine
SMILESC/N=C(\NCC(c1ccccc1)N(C)C)NC1CCCC1
InChIInChI=1S/C17H28N4/c1-18-17(20-15-11-7-8-12-15)19-13-16(21(2)3)14-9-5-4-6-10-14/h4-6,9-10,15-16H,7-8,11-13H2,1-3H3,(H2,18,19,20)
InChIKeyXEZZEUJACBCQLW-UHFFFAOYSA-N
XLogP2.40
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.40
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-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-cyclopropyl-2-methylguanidine
CID 111549385
1-cyclopentyl-3-[2-(dimethylamino)-3-phenylpropyl]-2-methylguanidine
CID 110991673
1-cyclopentyl-3-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-2-methylguanidine;hydroiodide
CID 111790947
1-cyclohexyl-3-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-methylguanidine
CID 111790294
1-[2-(dimethylamino)-2-phenylethyl]-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111914923
1-(1-benzyl-2-methylpiperidin-4-yl)-3-[2-(dimethylamino)-2-phenylethyl]-2-methylguanidine
CID 109459094
1-cyclopentyl-2-methyl-3-(2-morpholin-4-yl-2-phenylethyl)guanidine
CID 110990423
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine
CID 111255833
1-[2-(diethylamino)-2-phenylethyl]-3-(3-ethylsulfinylcyclohexyl)-2-methylguanidine
CID 109436953
1-[2-(dimethylamino)-2-phenylethyl]-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylguanidine
CID 111260529
1-[2-(diethylamino)-2-phenylethyl]-3-(1,1-dioxothiolan-3-yl)-2-methylguanidine
CID 111142121
1-butyl-3-[2-(dimethylamino)-2-phenylethyl]-2-methylguanidine
CID 111151724

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-(dimethylamino)-2-phenylethyl]-2-methylguanidine?
The IUPAC name of 1-cyclopentyl-3-[2-(dimethylamino)-2-phenylethyl]-2-methylguanidine (CID 110991267) is 1-cyclopentyl-3-[2-(dimethylamino)-2-phenylethyl]-2-methylguanidine.
What is the SMILES notation for 1-cyclopentyl-3-[2-(dimethylamino)-2-phenylethyl]-2-methylguanidine?
The canonical SMILES for 1-cyclopentyl-3-[2-(dimethylamino)-2-phenylethyl]-2-methylguanidine is C/N=C(\NCC(c1ccccc1)N(C)C)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[2-(dimethylamino)-2-phenylethyl]-2-methylguanidine?
The InChIKey is XEZZEUJACBCQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-18-17(20-15-11-7-8-12-15)19-13-16(21(2)3)14-9-5-4-6-10-14/h4-6,9-10,15-16H,7-8,11-13H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-cyclopentyl-3-[2-(dimethylamino)-2-phenylethyl]-2-methylguanidine?
1-cyclopentyl-3-[2-(dimethylamino)-2-phenylethyl]-2-methylguanidine has a molecular weight of 288.44 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(dimethylamino)-2-phenylethyl]-2-methylguanidine is sourced from PubChem (CID 110991267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).