1-cyclopropyl-3-ethyl-2-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine

C19H29N3O — CID 111579485

IUPAC1-cyclopropyl-3-ethyl-2-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine
SMILESCCN/C(=N\CCCOC1CCCc2ccccc21)NC1CC1
InChIInChI=1S/C19H29N3O/c1-2-20-19(22-16-11-12-16)21-13-6-14-23-18-10-5-8-15-7-3-4-9-17(15)18/h3-4,7,9,16,18H,2,5-6,8,10-14H2,1H3,(H2,20,21,22)
InChIKeyCNCZQRAGKNOWHC-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.19
Rot. Bonds7

About 1-cyclopropyl-3-ethyl-2-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine

1-cyclopropyl-3-ethyl-2-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine (PubChem CID 111579485) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 1-cyclopropyl-3-ethyl-2-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-3-ethyl-2-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine
PubChem CID111579485
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name1-cyclopropyl-3-ethyl-2-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine
SMILESCCN/C(=N\CCCOC1CCCc2ccccc21)NC1CC1
InChIInChI=1S/C19H29N3O/c1-2-20-19(22-16-11-12-16)21-13-6-14-23-18-10-5-8-15-7-3-4-9-17(15)18/h3-4,7,9,16,18H,2,5-6,8,10-14H2,1H3,(H2,20,21,22)
InChIKeyCNCZQRAGKNOWHC-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine;hydroiodide
CID 111579470
2-methyl-1-(1-propan-2-ylpiperidin-4-yl)-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine
CID 111795748
1-cyclopentyl-2-(3-cyclopentyloxypropyl)-3-ethylguanidine
CID 110990933
ethyl 4-[[N'-methyl-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111796060
1-cyclopropyl-3-ethyl-2-[3-(2-phenylethoxy)propyl]guanidine
CID 110989421
2-methyl-1-propan-2-yl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine
CID 111792021
1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine
CID 111813112
N-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethanamine;hydrochloride
CID 67867639
1-cyclopropyl-3-ethyl-2-(2-phenylsulfanylethyl)guanidine
CID 110989049
1-ethyl-3-(4-hydroxycyclohexyl)-2-[3-(2-phenylethoxy)propyl]guanidine;hydroiodide
CID 111190623
1-cyclopropyl-3-ethyl-2-[3-(4-fluorophenoxy)propyl]guanidine;hydroiodide
CID 110988257
1-cyclopentyl-3-ethyl-2-[3-(4-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 110989774

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-ethyl-2-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine?
The IUPAC name of 1-cyclopropyl-3-ethyl-2-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine (CID 111579485) is 1-cyclopropyl-3-ethyl-2-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-3-ethyl-2-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine?
The canonical SMILES for 1-cyclopropyl-3-ethyl-2-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine is CCN/C(=N\CCCOC1CCCc2ccccc21)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-ethyl-2-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine?
The InChIKey is CNCZQRAGKNOWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-2-20-19(22-16-11-12-16)21-13-6-14-23-18-10-5-8-15-7-3-4-9-17(15)18/h3-4,7,9,16,18H,2,5-6,8,10-14H2,1H3,(H2,20,21,22).
What are the key properties of 1-cyclopropyl-3-ethyl-2-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine?
1-cyclopropyl-3-ethyl-2-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine has a molecular weight of 315.46 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-ethyl-2-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine is sourced from PubChem (CID 111579485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).