2-(3-cyclopentyloxypropyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine

C19H29N3O — CID 111721559

IUPAC2-(3-cyclopentyloxypropyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
SMILESN/C(=N\CCCOC1CCCC1)Nc1cccc2c1CCCC2
InChIInChI=1S/C19H29N3O/c20-19(21-13-6-14-23-16-9-2-3-10-16)22-18-12-5-8-15-7-1-4-11-17(15)18/h5,8,12,16H,1-4,6-7,9-11,13-14H2,(H3,20,21,22)
InChIKeyBKCZTHOXCCIRNR-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.64
Rot. Bonds6

About 2-(3-cyclopentyloxypropyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine

2-(3-cyclopentyloxypropyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine (PubChem CID 111721559) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-(3-cyclopentyloxypropyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine.

Molecular Properties

Compound Name2-(3-cyclopentyloxypropyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
PubChem CID111721559
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name2-(3-cyclopentyloxypropyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
SMILESN/C(=N\CCCOC1CCCC1)Nc1cccc2c1CCCC2
InChIInChI=1S/C19H29N3O/c20-19(21-13-6-14-23-16-9-2-3-10-16)22-18-12-5-8-15-7-1-4-11-17(15)18/h5,8,12,16H,1-4,6-7,9-11,13-14H2,(H3,20,21,22)
InChIKeyBKCZTHOXCCIRNR-UHFFFAOYSA-N
XLogP3.64
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.64
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

2-[3-(2-methylpropoxy)propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111720784
2-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111720591
2-(5-methoxypentyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111721526
2-[3-(dimethylamino)propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111720610
4-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide
CID 111721234
2-(3-anilinopropyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111721533
2-(3-cyclohexyloxypropyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine;hydroiodide
CID 111035501
2-(3-morpholin-4-ylpropyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111720602
2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111721083
2-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111720856
2-[2-(cyclobutylmethylsulfamoyl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111810022
2-(3-cyclopentyloxypropyl)-1-(3-ethylphenyl)guanidine
CID 111090001

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentyloxypropyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
The IUPAC name of 2-(3-cyclopentyloxypropyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine (CID 111721559) is 2-(3-cyclopentyloxypropyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine.
What is the SMILES notation for 2-(3-cyclopentyloxypropyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
The canonical SMILES for 2-(3-cyclopentyloxypropyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine is N/C(=N\CCCOC1CCCC1)Nc1cccc2c1CCCC2.
What is the InChIKey of 2-(3-cyclopentyloxypropyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
The InChIKey is BKCZTHOXCCIRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c20-19(21-13-6-14-23-16-9-2-3-10-16)22-18-12-5-8-15-7-1-4-11-17(15)18/h5,8,12,16H,1-4,6-7,9-11,13-14H2,(H3,20,21,22).
What are the key properties of 2-(3-cyclopentyloxypropyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
2-(3-cyclopentyloxypropyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine has a molecular weight of 315.46 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentyloxypropyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine is sourced from PubChem (CID 111721559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).