4-methyl-N-(naphthalen-1-ylmethyl)-1-propan-2-ylimidazol-2-amine

C18H21N3 — CID 106571375

IUPAC4-methyl-N-(naphthalen-1-ylmethyl)-1-propan-2-ylimidazol-2-amine
SMILESCc1cn(C(C)C)c(NCc2cccc3ccccc23)n1
InChIInChI=1S/C18H21N3/c1-13(2)21-12-14(3)20-18(21)19-11-16-9-6-8-15-7-4-5-10-17(15)16/h4-10,12-13H,11H2,1-3H3,(H,19,20)
InChIKeyOHOIZQQAEQSNMX-UHFFFAOYSA-N
MW279.39 g/mol
LogP4.54
Rot. Bonds4

About 4-methyl-N-(naphthalen-1-ylmethyl)-1-propan-2-ylimidazol-2-amine

4-methyl-N-(naphthalen-1-ylmethyl)-1-propan-2-ylimidazol-2-amine (PubChem CID 106571375) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 4-methyl-N-(naphthalen-1-ylmethyl)-1-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-(naphthalen-1-ylmethyl)-1-propan-2-ylimidazol-2-amine
PubChem CID106571375
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name4-methyl-N-(naphthalen-1-ylmethyl)-1-propan-2-ylimidazol-2-amine
SMILESCc1cn(C(C)C)c(NCc2cccc3ccccc23)n1
InChIInChI=1S/C18H21N3/c1-13(2)21-12-14(3)20-18(21)19-11-16-9-6-8-15-7-4-5-10-17(15)16/h4-10,12-13H,11H2,1-3H3,(H,19,20)
InChIKeyOHOIZQQAEQSNMX-UHFFFAOYSA-N
XLogP4.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(naphthalen-1-ylmethyl)-1-prop-2-enylimidazol-2-amine
CID 106571379
4-methyl-1-(naphthalen-1-ylmethyl)-N-propylimidazol-2-amine
CID 106571366
4-methyl-1-propan-2-yl-N-(2-propylphenyl)imidazol-2-amine
CID 106567383
2-methyl-N-(naphthalen-1-ylmethyl)pyrimidin-4-amine
CID 55112812
2-methyl-N-(naphthalen-1-ylmethyl)aniline
CID 28524236
4-methyl-N-(2-methylsulfanylethyl)-1-propan-2-ylimidazol-2-amine
CID 106572589
N-methyl-1-naphthalen-1-ylmethanamine
CID 69403999
1-methyl-3-N-(naphthalen-1-ylmethyl)pyrazole-3,4-diamine
CID 103078409
N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride
CID 17290740
N-(naphthalen-1-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 62368631
1-(naphthalen-1-ylmethyl)-N-propan-2-ylimidazol-2-amine
CID 106571365
5-methyl-N-(naphthalen-1-ylmethyl)-1H-imidazol-2-amine
CID 106571383

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(naphthalen-1-ylmethyl)-1-propan-2-ylimidazol-2-amine?
The IUPAC name of 4-methyl-N-(naphthalen-1-ylmethyl)-1-propan-2-ylimidazol-2-amine (CID 106571375) is 4-methyl-N-(naphthalen-1-ylmethyl)-1-propan-2-ylimidazol-2-amine.
What is the SMILES notation for 4-methyl-N-(naphthalen-1-ylmethyl)-1-propan-2-ylimidazol-2-amine?
The canonical SMILES for 4-methyl-N-(naphthalen-1-ylmethyl)-1-propan-2-ylimidazol-2-amine is Cc1cn(C(C)C)c(NCc2cccc3ccccc23)n1.
What is the InChIKey of 4-methyl-N-(naphthalen-1-ylmethyl)-1-propan-2-ylimidazol-2-amine?
The InChIKey is OHOIZQQAEQSNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-13(2)21-12-14(3)20-18(21)19-11-16-9-6-8-15-7-4-5-10-17(15)16/h4-10,12-13H,11H2,1-3H3,(H,19,20).
What are the key properties of 4-methyl-N-(naphthalen-1-ylmethyl)-1-propan-2-ylimidazol-2-amine?
4-methyl-N-(naphthalen-1-ylmethyl)-1-propan-2-ylimidazol-2-amine has a molecular weight of 279.39 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(naphthalen-1-ylmethyl)-1-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106571375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).