2-(8-naphthalen-1-yloxyoctyl)guanidine

C19H27N3O — CID 70387704

IUPAC2-(8-naphthalen-1-yloxyoctyl)guanidine
SMILESNC(N)=NCCCCCCCCOc1cccc2ccccc12
InChIInChI=1S/C19H27N3O/c20-19(21)22-14-7-3-1-2-4-8-15-23-18-13-9-11-16-10-5-6-12-17(16)18/h5-6,9-13H,1-4,7-8,14-15H2,(H4,20,21,22)
InChIKeyOLLVAJITDUKDPJ-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.83
Rot. Bonds10

About 2-(8-naphthalen-1-yloxyoctyl)guanidine

2-(8-naphthalen-1-yloxyoctyl)guanidine (PubChem CID 70387704) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is 2-(8-naphthalen-1-yloxyoctyl)guanidine.

Molecular Properties

Compound Name2-(8-naphthalen-1-yloxyoctyl)guanidine
PubChem CID70387704
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name2-(8-naphthalen-1-yloxyoctyl)guanidine
SMILESNC(N)=NCCCCCCCCOc1cccc2ccccc12
InChIInChI=1S/C19H27N3O/c20-19(21)22-14-7-3-1-2-4-8-15-23-18-13-9-11-16-10-5-6-12-17(16)18/h5-6,9-13H,1-4,7-8,14-15H2,(H4,20,21,22)
InChIKeyOLLVAJITDUKDPJ-UHFFFAOYSA-N
XLogP3.83
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.83
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-naphthalen-1-yloxypropyl)guanidine
CID 95456191
1-(3-chloropropoxy)naphthalene
CID 12685615
naphthalen-1-yl (2R)-6-(diaminomethylideneamino)-2-[4-[1-[2-[4-[[(2R)-6-(diaminomethylideneamino)-1-naphthalen-1-yloxy-1-oxohexan-2-yl]amino]-4-oxobutoxy]naphthalen-1-yl]naphthalen-2-yl]oxybutanoylamino]hexanoate
CID 59860600
(2S)-2-amino-6-naphthalen-1-yloxyhexane-1-thiol
CID 87875984
1-butoxynaphthalene
CID 13262700
bis(2-naphthalen-1-yloxyethyl) carbonate
CID 57035339
1-butoxynaphthalene;pentane-1,5-diol
CID 67747662
N'-(2-naphthalen-1-yloxyethyl)thiomorpholine-4-carboximidamide
CID 111074015
2-(3-naphthalen-1-yloxypropoxy)ethanamine
CID 82353335
2-methyl-5-naphthalen-1-yloxypentanamide
CID 142457720
1-cyclopropyl-1-methyl-2-(2-naphthalen-1-yloxyethyl)guanidine;hydroiodide
CID 110030405
2-naphthalen-1-yloxyethyl acetate
CID 23049663

Frequently Asked Questions

What is the IUPAC name of 2-(8-naphthalen-1-yloxyoctyl)guanidine?
The IUPAC name of 2-(8-naphthalen-1-yloxyoctyl)guanidine (CID 70387704) is 2-(8-naphthalen-1-yloxyoctyl)guanidine.
What is the SMILES notation for 2-(8-naphthalen-1-yloxyoctyl)guanidine?
The canonical SMILES for 2-(8-naphthalen-1-yloxyoctyl)guanidine is NC(N)=NCCCCCCCCOc1cccc2ccccc12.
What is the InChIKey of 2-(8-naphthalen-1-yloxyoctyl)guanidine?
The InChIKey is OLLVAJITDUKDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c20-19(21)22-14-7-3-1-2-4-8-15-23-18-13-9-11-16-10-5-6-12-17(16)18/h5-6,9-13H,1-4,7-8,14-15H2,(H4,20,21,22).
What are the key properties of 2-(8-naphthalen-1-yloxyoctyl)guanidine?
2-(8-naphthalen-1-yloxyoctyl)guanidine has a molecular weight of 313.44 g/mol, XLogP of 3.83, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-naphthalen-1-yloxyoctyl)guanidine is sourced from PubChem (CID 70387704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).