2-(2-cyclopropylethyl)-1-ethyl-3-(2-phenylethyl)guanidine

C16H25N3 — CID 111604893

IUPAC2-(2-cyclopropylethyl)-1-ethyl-3-(2-phenylethyl)guanidine
SMILESCCN/C(=N\CCC1CC1)NCCc1ccccc1
InChIInChI=1S/C16H25N3/c1-2-17-16(19-13-11-15-8-9-15)18-12-10-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H2,17,18,19)
InChIKeyJXLAPGHGHWFUFH-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.58
Rot. Bonds7

About 2-(2-cyclopropylethyl)-1-ethyl-3-(2-phenylethyl)guanidine

2-(2-cyclopropylethyl)-1-ethyl-3-(2-phenylethyl)guanidine (PubChem CID 111604893) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-(2-cyclopropylethyl)-1-ethyl-3-(2-phenylethyl)guanidine.

Molecular Properties

Compound Name2-(2-cyclopropylethyl)-1-ethyl-3-(2-phenylethyl)guanidine
PubChem CID111604893
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name2-(2-cyclopropylethyl)-1-ethyl-3-(2-phenylethyl)guanidine
SMILESCCN/C(=N\CCC1CC1)NCCc1ccccc1
InChIInChI=1S/C16H25N3/c1-2-17-16(19-13-11-15-8-9-15)18-12-10-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H2,17,18,19)
InChIKeyJXLAPGHGHWFUFH-UHFFFAOYSA-N
XLogP2.58
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-(cyclopropylmethyl)-1-ethyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111134664
2-[2-(tert-butylamino)ethyl]-1-ethyl-3-(2-phenylethyl)guanidine
CID 111760825
2-benzyl-1-(2-cyclopropylethyl)-3-ethylguanidine;hydroiodide
CID 111604528
1-ethyl-2-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[2-(4-fluorophenyl)ethyl]guanidine
CID 111782802
1,3-diethyl-2-(2-phenylethyl)guanidine
CID 110913976
2-(3-cyclopentyloxypropyl)-1-ethyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111136114
N-cyclopropyl-4-[[ethylamino-(2-phenylethylamino)methylidene]amino]butanamide
CID 111135367
1-ethyl-2-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]guanidine
CID 111781405
2-[3-(dimethylamino)propyl]-1-ethyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111135292
1-ethyl-2-[2-(ethylsulfonylamino)ethyl]-3-(2-phenylethyl)guanidine
CID 111134273
1-ethyl-2-[2-(2-methoxyethoxy)ethyl]-3-(2-phenylethyl)guanidine
CID 111135487
2-[(1,1-dioxothiolan-3-yl)methyl]-1-ethyl-3-(2-phenylethyl)guanidine
CID 111134387

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylethyl)-1-ethyl-3-(2-phenylethyl)guanidine?
The IUPAC name of 2-(2-cyclopropylethyl)-1-ethyl-3-(2-phenylethyl)guanidine (CID 111604893) is 2-(2-cyclopropylethyl)-1-ethyl-3-(2-phenylethyl)guanidine.
What is the SMILES notation for 2-(2-cyclopropylethyl)-1-ethyl-3-(2-phenylethyl)guanidine?
The canonical SMILES for 2-(2-cyclopropylethyl)-1-ethyl-3-(2-phenylethyl)guanidine is CCN/C(=N\CCC1CC1)NCCc1ccccc1.
What is the InChIKey of 2-(2-cyclopropylethyl)-1-ethyl-3-(2-phenylethyl)guanidine?
The InChIKey is JXLAPGHGHWFUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-2-17-16(19-13-11-15-8-9-15)18-12-10-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H2,17,18,19).
What are the key properties of 2-(2-cyclopropylethyl)-1-ethyl-3-(2-phenylethyl)guanidine?
2-(2-cyclopropylethyl)-1-ethyl-3-(2-phenylethyl)guanidine has a molecular weight of 259.40 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylethyl)-1-ethyl-3-(2-phenylethyl)guanidine is sourced from PubChem (CID 111604893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).