2-[2-(4-cyclopentyloxyphenyl)ethyl]-1-cyclopropyl-3-ethylguanidine

C19H29N3O — CID 110988788

IUPAC2-[2-(4-cyclopentyloxyphenyl)ethyl]-1-cyclopropyl-3-ethylguanidine
SMILESCCN/C(=N\CCc1ccc(OC2CCCC2)cc1)NC1CC1
InChIInChI=1S/C19H29N3O/c1-2-20-19(22-16-9-10-16)21-14-13-15-7-11-18(12-8-15)23-17-5-3-4-6-17/h7-8,11-12,16-17H,2-6,9-10,13-14H2,1H3,(H2,20,21,22)
InChIKeyYZWGHVSQUUOCDT-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.27
Rot. Bonds7

About 2-[2-(4-cyclopentyloxyphenyl)ethyl]-1-cyclopropyl-3-ethylguanidine

2-[2-(4-cyclopentyloxyphenyl)ethyl]-1-cyclopropyl-3-ethylguanidine (PubChem CID 110988788) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-[2-(4-cyclopentyloxyphenyl)ethyl]-1-cyclopropyl-3-ethylguanidine.

Molecular Properties

Compound Name2-[2-(4-cyclopentyloxyphenyl)ethyl]-1-cyclopropyl-3-ethylguanidine
PubChem CID110988788
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name2-[2-(4-cyclopentyloxyphenyl)ethyl]-1-cyclopropyl-3-ethylguanidine
SMILESCCN/C(=N\CCc1ccc(OC2CCCC2)cc1)NC1CC1
InChIInChI=1S/C19H29N3O/c1-2-20-19(22-16-9-10-16)21-14-13-15-7-11-18(12-8-15)23-17-5-3-4-6-17/h7-8,11-12,16-17H,2-6,9-10,13-14H2,1H3,(H2,20,21,22)
InChIKeyYZWGHVSQUUOCDT-UHFFFAOYSA-N
XLogP3.27
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.27
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-(4-cyclopentyloxyphenyl)ethyl]-1-ethyl-3-prop-2-ynylguanidine
CID 136922263
2-[2-(4-cyclopentyloxyphenyl)ethyl]-1-ethyl-3-prop-2-ynylguanidine;hydroiodide
CID 136922262
1-cyclopropyl-3-ethyl-2-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine;hydroiodide
CID 110987715
2-[4-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide;hydroiodide
CID 110992692
2-[2-(4-butoxyphenyl)ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111190812
1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-[4-(2-methylpropoxy)phenyl]ethyl]guanidine
CID 111978967
N-cyclopropyl-2-[4-[2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]ethyl]phenoxy]acetamide
CID 111190628
2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-cyclopropyl-3-ethylguanidine
CID 110987722
2-[2-(4-cyclopentyloxyphenyl)ethyl]-1-ethyl-3-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]guanidine;hydroiodide
CID 111701356
methyl 4-[2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]ethyl]benzoate;hydroiodide
CID 111190193
ethyl 4-[[N-ethyl-N'-[2-(4-methoxyphenyl)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111329394
2-[3-(4-chlorophenyl)propyl]-1-cyclopropyl-3-ethylguanidine
CID 110988772

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-cyclopentyloxyphenyl)ethyl]-1-cyclopropyl-3-ethylguanidine?
The IUPAC name of 2-[2-(4-cyclopentyloxyphenyl)ethyl]-1-cyclopropyl-3-ethylguanidine (CID 110988788) is 2-[2-(4-cyclopentyloxyphenyl)ethyl]-1-cyclopropyl-3-ethylguanidine.
What is the SMILES notation for 2-[2-(4-cyclopentyloxyphenyl)ethyl]-1-cyclopropyl-3-ethylguanidine?
The canonical SMILES for 2-[2-(4-cyclopentyloxyphenyl)ethyl]-1-cyclopropyl-3-ethylguanidine is CCN/C(=N\CCc1ccc(OC2CCCC2)cc1)NC1CC1.
What is the InChIKey of 2-[2-(4-cyclopentyloxyphenyl)ethyl]-1-cyclopropyl-3-ethylguanidine?
The InChIKey is YZWGHVSQUUOCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-2-20-19(22-16-9-10-16)21-14-13-15-7-11-18(12-8-15)23-17-5-3-4-6-17/h7-8,11-12,16-17H,2-6,9-10,13-14H2,1H3,(H2,20,21,22).
What are the key properties of 2-[2-(4-cyclopentyloxyphenyl)ethyl]-1-cyclopropyl-3-ethylguanidine?
2-[2-(4-cyclopentyloxyphenyl)ethyl]-1-cyclopropyl-3-ethylguanidine has a molecular weight of 315.46 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-cyclopentyloxyphenyl)ethyl]-1-cyclopropyl-3-ethylguanidine is sourced from PubChem (CID 110988788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).