2-(2-naphthalen-1-ylpropyl)guanidine

C14H17N3 — CID 5000934

IUPAC2-(2-naphthalen-1-ylpropyl)guanidine
SMILESCC(CN=C(N)N)c1cccc2ccccc12
InChIInChI=1S/C14H17N3/c1-10(9-17-14(15)16)12-8-4-6-11-5-2-3-7-13(11)12/h2-8,10H,9H2,1H3,(H4,15,16,17)
InChIKeySQGXWYQBYKUHIR-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.22
Rot. Bonds3

About 2-(2-naphthalen-1-ylpropyl)guanidine

2-(2-naphthalen-1-ylpropyl)guanidine (PubChem CID 5000934) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(2-naphthalen-1-ylpropyl)guanidine.

Molecular Properties

Compound Name2-(2-naphthalen-1-ylpropyl)guanidine
PubChem CID5000934
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name2-(2-naphthalen-1-ylpropyl)guanidine
SMILESCC(CN=C(N)N)c1cccc2ccccc12
InChIInChI=1S/C14H17N3/c1-10(9-17-14(15)16)12-8-4-6-11-5-2-3-7-13(11)12/h2-8,10H,9H2,1H3,(H4,15,16,17)
InChIKeySQGXWYQBYKUHIR-UHFFFAOYSA-N
XLogP2.22
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

1-(diaminomethylidene)-2-(1-naphthalen-1-ylethyl)guanidine;hydrochloride
CID 175013889
cerium(3+);2-naphthalen-1-ylpropan-1-amine;trichloride;hydrate
CID 159849461
N-(1-naphthalen-1-ylethyl)methanimine
CID 90898908
1-[1-(2-naphthalen-1-ylpropoxy)propan-2-yl]naphthalene
CID 69118835
3-naphthalen-1-ylbutanoic acid
CID 43211329
1-(4-bromopentan-2-yl)naphthalene
CID 64720152
3,3,3-trideuterio-2-naphthalen-1-ylpropan-1-ol
CID 169444620
2-methyl-1-naphthalen-1-ylpropan-1-amine
CID 14948205
deuterium monohydride;(1R)-1-naphthalen-1-ylethanamine
CID 158157747
3-naphthalen-1-ylpentane-2,4-diol
CID 140608407
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
1-[(2R)-butan-2-yl]naphthalene;pentane
CID 142150914

Frequently Asked Questions

What is the IUPAC name of 2-(2-naphthalen-1-ylpropyl)guanidine?
The IUPAC name of 2-(2-naphthalen-1-ylpropyl)guanidine (CID 5000934) is 2-(2-naphthalen-1-ylpropyl)guanidine.
What is the SMILES notation for 2-(2-naphthalen-1-ylpropyl)guanidine?
The canonical SMILES for 2-(2-naphthalen-1-ylpropyl)guanidine is CC(CN=C(N)N)c1cccc2ccccc12.
What is the InChIKey of 2-(2-naphthalen-1-ylpropyl)guanidine?
The InChIKey is SQGXWYQBYKUHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-10(9-17-14(15)16)12-8-4-6-11-5-2-3-7-13(11)12/h2-8,10H,9H2,1H3,(H4,15,16,17).
What are the key properties of 2-(2-naphthalen-1-ylpropyl)guanidine?
2-(2-naphthalen-1-ylpropyl)guanidine has a molecular weight of 227.31 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-naphthalen-1-ylpropyl)guanidine is sourced from PubChem (CID 5000934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).