1-naphthalen-1-yl-2-propan-2-ylguanidine

C14H17N3 — CID 55068402

IUPAC1-naphthalen-1-yl-2-propan-2-ylguanidine
SMILESCC(C)/N=C(\N)Nc1cccc2ccccc12
InChIInChI=1S/C14H17N3/c1-10(2)16-14(15)17-13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,1-2H3,(H3,15,16,17)
InChIKeyILPULDXADDKAHB-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.97
Rot. Bonds2

About 1-naphthalen-1-yl-2-propan-2-ylguanidine

1-naphthalen-1-yl-2-propan-2-ylguanidine (PubChem CID 55068402) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-naphthalen-1-yl-2-propan-2-ylguanidine.

Molecular Properties

Compound Name1-naphthalen-1-yl-2-propan-2-ylguanidine
PubChem CID55068402
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name1-naphthalen-1-yl-2-propan-2-ylguanidine
SMILESCC(C)/N=C(\N)Nc1cccc2ccccc12
InChIInChI=1S/C14H17N3/c1-10(2)16-14(15)17-13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,1-2H3,(H3,15,16,17)
InChIKeyILPULDXADDKAHB-UHFFFAOYSA-N
XLogP2.97
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.97
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'}

Analyze 1-naphthalen-1-yl-2-propan-2-ylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bromo-3-chlorophenyl)-2-propan-2-ylguanidine
CID 103481487
naphthalen-1-ylurea;hydrochloride
CID 141142203
2-(2-bromo-3-methylphenyl)-1-naphthalen-1-ylguanidine
CID 139844863
1-(2-methyl-3-pyridinyl)-2-propan-2-ylguanidine
CID 79043510
1-amino-2-(2-methylpropyl)-3-naphthalen-1-ylguanidine
CID 116511489
2-(4-methoxynaphthalen-1-yl)-1-naphthalen-1-ylguanidine
CID 142680141
(1E)-1-[amino-(naphthalen-1-ylamino)methylidene]-2-octylguanidine
CID 87675525
2-(propan-2-ylamino)ethyl N-naphthalen-1-ylcarbamate
CID 79337527
1-naphthalen-1-yl-3-phenylthiourea
CID 828128
1-[(2R)-1-aminopropan-2-yl]-3-naphthalen-1-ylurea
CID 104877165
1-naphthalen-1-yl-3-[(1S)-1-phenylethyl]thiourea
CID 40546386
1-N'-naphthalen-1-ylethane-1,1-diamine;dihydrochloride
CID 174599012

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-2-propan-2-ylguanidine?
The IUPAC name of 1-naphthalen-1-yl-2-propan-2-ylguanidine (CID 55068402) is 1-naphthalen-1-yl-2-propan-2-ylguanidine.
What is the SMILES notation for 1-naphthalen-1-yl-2-propan-2-ylguanidine?
The canonical SMILES for 1-naphthalen-1-yl-2-propan-2-ylguanidine is CC(C)/N=C(\N)Nc1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-2-propan-2-ylguanidine?
The InChIKey is ILPULDXADDKAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-10(2)16-14(15)17-13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,1-2H3,(H3,15,16,17).
What are the key properties of 1-naphthalen-1-yl-2-propan-2-ylguanidine?
1-naphthalen-1-yl-2-propan-2-ylguanidine has a molecular weight of 227.31 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-2-propan-2-ylguanidine is sourced from PubChem (CID 55068402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).