2-methyl-1-(naphthalen-1-ylmethyl)-3-propan-2-ylguanidine

C16H21N3 — CID 111125819

IUPAC2-methyl-1-(naphthalen-1-ylmethyl)-3-propan-2-ylguanidine
SMILESC/N=C(/NCc1cccc2ccccc12)NC(C)C
InChIInChI=1S/C16H21N3/c1-12(2)19-16(17-3)18-11-14-9-6-8-13-7-4-5-10-15(13)14/h4-10,12H,11H2,1-3H3,(H2,17,18,19)
InChIKeyRGQDMFRAOUIXAH-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.91
Rot. Bonds3

About 2-methyl-1-(naphthalen-1-ylmethyl)-3-propan-2-ylguanidine

2-methyl-1-(naphthalen-1-ylmethyl)-3-propan-2-ylguanidine (PubChem CID 111125819) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 2-methyl-1-(naphthalen-1-ylmethyl)-3-propan-2-ylguanidine.

Molecular Properties

Compound Name2-methyl-1-(naphthalen-1-ylmethyl)-3-propan-2-ylguanidine
PubChem CID111125819
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name2-methyl-1-(naphthalen-1-ylmethyl)-3-propan-2-ylguanidine
SMILESC/N=C(/NCc1cccc2ccccc12)NC(C)C
InChIInChI=1S/C16H21N3/c1-12(2)19-16(17-3)18-11-14-9-6-8-13-7-4-5-10-15(13)14/h4-10,12H,11H2,1-3H3,(H2,17,18,19)
InChIKeyRGQDMFRAOUIXAH-UHFFFAOYSA-N
XLogP2.91
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.91
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 2-methyl-1-(naphthalen-1-ylmethyl)-3-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-dimethyl-3-(naphthalen-1-ylmethyl)guanidine
CID 3028482
1-[(2,3-dimethoxyphenyl)methyl]-2-methyl-3-propan-2-ylguanidine
CID 111126267
1-N-(naphthalen-1-ylmethyl)-1-N'-propan-2-ylethene-1,1-diamine
CID 122547209
1-(naphthalen-1-ylmethyl)-3-propan-2-ylthiourea
CID 115596941
1-[[2-(methoxymethyl)phenyl]methyl]-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 111126308
1-(2-methoxyethyl)-2-methyl-3-(naphthalen-1-ylmethyl)guanidine
CID 110942824
2-methyl-1-(naphthalen-1-ylmethyl)-3-[1-(oxolan-3-yloxy)propan-2-yl]guanidine;hydroiodide
CID 111978849
2-methyl-1-[(2-phenoxyphenyl)methyl]-3-propan-2-ylguanidine;hydroiodide
CID 111125527
2-methyl-1-[(1-methylpyrrol-3-yl)methyl]-3-(naphthalen-1-ylmethyl)guanidine
CID 111977886
2-methyl-1-propan-2-yl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111126243
1-(2-methoxy-2-methylpropyl)-2-methyl-3-(naphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111605668
3-methyl-5-(naphthalen-1-ylmethylamino)-5-oxopentanoic acid
CID 62965446

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(naphthalen-1-ylmethyl)-3-propan-2-ylguanidine?
The IUPAC name of 2-methyl-1-(naphthalen-1-ylmethyl)-3-propan-2-ylguanidine (CID 111125819) is 2-methyl-1-(naphthalen-1-ylmethyl)-3-propan-2-ylguanidine.
What is the SMILES notation for 2-methyl-1-(naphthalen-1-ylmethyl)-3-propan-2-ylguanidine?
The canonical SMILES for 2-methyl-1-(naphthalen-1-ylmethyl)-3-propan-2-ylguanidine is C/N=C(/NCc1cccc2ccccc12)NC(C)C.
What is the InChIKey of 2-methyl-1-(naphthalen-1-ylmethyl)-3-propan-2-ylguanidine?
The InChIKey is RGQDMFRAOUIXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-12(2)19-16(17-3)18-11-14-9-6-8-13-7-4-5-10-15(13)14/h4-10,12H,11H2,1-3H3,(H2,17,18,19).
What are the key properties of 2-methyl-1-(naphthalen-1-ylmethyl)-3-propan-2-ylguanidine?
2-methyl-1-(naphthalen-1-ylmethyl)-3-propan-2-ylguanidine has a molecular weight of 255.37 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(naphthalen-1-ylmethyl)-3-propan-2-ylguanidine is sourced from PubChem (CID 111125819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).