2-(3-naphthalen-1-yloxypropyl)guanidine

C14H17N3O — CID 95456191

IUPAC2-(3-naphthalen-1-yloxypropyl)guanidine
SMILESNC(N)=NCCCOc1cccc2ccccc12
InChIInChI=1S/C14H17N3O/c15-14(16)17-9-4-10-18-13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8H,4,9-10H2,(H4,15,16,17)
InChIKeyZONWEPWMOIRUIJ-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.88
Rot. Bonds5

About 2-(3-naphthalen-1-yloxypropyl)guanidine

2-(3-naphthalen-1-yloxypropyl)guanidine (PubChem CID 95456191) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(3-naphthalen-1-yloxypropyl)guanidine.

Molecular Properties

Compound Name2-(3-naphthalen-1-yloxypropyl)guanidine
PubChem CID95456191
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-(3-naphthalen-1-yloxypropyl)guanidine
SMILESNC(N)=NCCCOc1cccc2ccccc12
InChIInChI=1S/C14H17N3O/c15-14(16)17-9-4-10-18-13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8H,4,9-10H2,(H4,15,16,17)
InChIKeyZONWEPWMOIRUIJ-UHFFFAOYSA-N
XLogP1.88
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.88
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-(8-naphthalen-1-yloxyoctyl)guanidine
CID 70387704
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
1-butoxynaphthalene
CID 13262700
bis(2-naphthalen-1-yloxyethyl) carbonate
CID 57035339
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
2-amino-4-naphthalen-1-yloxybutanamide
CID 63040100
(2S)-2-amino-4-naphthalen-1-yloxybutanamide
CID 174561854

Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-1-yloxypropyl)guanidine?
The IUPAC name of 2-(3-naphthalen-1-yloxypropyl)guanidine (CID 95456191) is 2-(3-naphthalen-1-yloxypropyl)guanidine.
What is the SMILES notation for 2-(3-naphthalen-1-yloxypropyl)guanidine?
The canonical SMILES for 2-(3-naphthalen-1-yloxypropyl)guanidine is NC(N)=NCCCOc1cccc2ccccc12.
What is the InChIKey of 2-(3-naphthalen-1-yloxypropyl)guanidine?
The InChIKey is ZONWEPWMOIRUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-14(16)17-9-4-10-18-13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8H,4,9-10H2,(H4,15,16,17).
What are the key properties of 2-(3-naphthalen-1-yloxypropyl)guanidine?
2-(3-naphthalen-1-yloxypropyl)guanidine has a molecular weight of 243.31 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-naphthalen-1-yloxypropyl)guanidine is sourced from PubChem (CID 95456191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).