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

C18H30N4 — CID 110950048

IUPAC2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine
SMILESCCN/C(=N\CC(C1CC1)N(C)C)NC(C)c1ccccc1
InChIInChI=1S/C18H30N4/c1-5-19-18(20-13-17(22(3)4)16-11-12-16)21-14(2)15-9-7-6-8-10-15/h6-10,14,16-17H,5,11-13H2,1-4H3,(H2,19,20,21)
InChIKeyXFTPXYLGQHSUGR-UHFFFAOYSA-N
MW302.47 g/mol
LogP2.64
Rot. Bonds7

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

2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine (PubChem CID 110950048) has the molecular formula C18H30N4 and a molecular weight of 302.47 g/mol. Its IUPAC name is 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine.

Molecular Properties

Compound Name2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine
PubChem CID110950048
Molecular FormulaC18H30N4
Molecular Weight302.47 g/mol
Exact Mass302.25
IUPAC Name2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine
SMILESCCN/C(=N\CC(C1CC1)N(C)C)NC(C)c1ccccc1
InChIInChI=1S/C18H30N4/c1-5-19-18(20-13-17(22(3)4)16-11-12-16)21-14(2)15-9-7-6-8-10-15/h6-10,14,16-17H,5,11-13H2,1-4H3,(H2,19,20,21)
InChIKeyXFTPXYLGQHSUGR-UHFFFAOYSA-N
XLogP2.64
TPSA39.66 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 ≤ 52.64
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-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111002732
2-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-ethyl-3-propan-2-ylguanidine
CID 111125895
2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111006544
1-ethyl-2-(3-hydroxy-2-methylpropyl)-3-(1-phenylethyl)guanidine;hydroiodide
CID 110950275
2-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 111545940
2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111234742
2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-(1-phenylethyl)guanidine
CID 110949344
1-ethyl-2-methyl-3-(1-phenylethyl)guanidine
CID 110948658
2-benzyl-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948673
1-ethyl-2-[(2-hydroxycyclopentyl)methyl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 111545994
N-cyclopropyl-2-[[ethylamino-(1-phenylethylamino)methylidene]amino]acetamide;hydroiodide
CID 110949777
2-[2-(dimethylamino)-2-phenylethyl]-1,3-diethylguanidine;hydroiodide
CID 110924919

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine?
The IUPAC name of 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine (CID 110950048) is 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine.
What is the SMILES notation for 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine?
The canonical SMILES for 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine is CCN/C(=N\CC(C1CC1)N(C)C)NC(C)c1ccccc1.
What is the InChIKey of 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine?
The InChIKey is XFTPXYLGQHSUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4/c1-5-19-18(20-13-17(22(3)4)16-11-12-16)21-14(2)15-9-7-6-8-10-15/h6-10,14,16-17H,5,11-13H2,1-4H3,(H2,19,20,21).
What are the key properties of 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine?
2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine has a molecular weight of 302.47 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine is sourced from PubChem (CID 110950048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).