1'-methylspiro[1,4-dihydroimidazole-5,4'-2,3-dihydro-1H-naphthalene]-2-amine

C13H17N3 — CID 115420947

IUPAC1'-methylspiro[1,4-dihydroimidazole-5,4'-2,3-dihydro-1H-naphthalene]-2-amine
SMILESCC1CCC2(CN=C(N)N2)c2ccccc21
InChIInChI=1S/C13H17N3/c1-9-6-7-13(8-15-12(14)16-13)11-5-3-2-4-10(9)11/h2-5,9H,6-8H2,1H3,(H3,14,15,16)
InChIKeyXFMQKLPOFBKNNH-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.70
Rot. Bonds

About 1'-methylspiro[1,4-dihydroimidazole-5,4'-2,3-dihydro-1H-naphthalene]-2-amine

1'-methylspiro[1,4-dihydroimidazole-5,4'-2,3-dihydro-1H-naphthalene]-2-amine (PubChem CID 115420947) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1'-methylspiro[1,4-dihydroimidazole-5,4'-2,3-dihydro-1H-naphthalene]-2-amine.

Molecular Properties

Compound Name1'-methylspiro[1,4-dihydroimidazole-5,4'-2,3-dihydro-1H-naphthalene]-2-amine
PubChem CID115420947
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name1'-methylspiro[1,4-dihydroimidazole-5,4'-2,3-dihydro-1H-naphthalene]-2-amine
SMILESCC1CCC2(CN=C(N)N2)c2ccccc21
InChIInChI=1S/C13H17N3/c1-9-6-7-13(8-15-12(14)16-13)11-5-3-2-4-10(9)11/h2-5,9H,6-8H2,1H3,(H3,14,15,16)
InChIKeyXFMQKLPOFBKNNH-UHFFFAOYSA-N
XLogP1.70
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-ethyl-N,4-dimethyl-3,4-dihydro-2H-naphthalen-1-amine
CID 113305935
1'-butan-2-yl-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine
CID 115420955
1'-[2-(dimethylamino)ethyl]-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine
CID 115420948
1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419502
(1R,4R)-4-ethyl-1,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 97103179
5-(2-methoxyphenyl)-5-methyl-1,4-dihydroimidazol-2-amine
CID 79510120
4'-amino-1'-(2-methoxyethyl)-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-2'-one
CID 115420968
1-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-morpholine]
CID 115420704
1-methylspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
CID 113306025
2,2,5-trimethyl-1,3,4,5-tetrahydro-1-benzazepine
CID 134961616
4-methyl-1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 115419894
2-[1-(dimethylamino)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]acetic acid
CID 115420429

Frequently Asked Questions

What is the IUPAC name of 1'-methylspiro[1,4-dihydroimidazole-5,4'-2,3-dihydro-1H-naphthalene]-2-amine?
The IUPAC name of 1'-methylspiro[1,4-dihydroimidazole-5,4'-2,3-dihydro-1H-naphthalene]-2-amine (CID 115420947) is 1'-methylspiro[1,4-dihydroimidazole-5,4'-2,3-dihydro-1H-naphthalene]-2-amine.
What is the SMILES notation for 1'-methylspiro[1,4-dihydroimidazole-5,4'-2,3-dihydro-1H-naphthalene]-2-amine?
The canonical SMILES for 1'-methylspiro[1,4-dihydroimidazole-5,4'-2,3-dihydro-1H-naphthalene]-2-amine is CC1CCC2(CN=C(N)N2)c2ccccc21.
What is the InChIKey of 1'-methylspiro[1,4-dihydroimidazole-5,4'-2,3-dihydro-1H-naphthalene]-2-amine?
The InChIKey is XFMQKLPOFBKNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-9-6-7-13(8-15-12(14)16-13)11-5-3-2-4-10(9)11/h2-5,9H,6-8H2,1H3,(H3,14,15,16).
What are the key properties of 1'-methylspiro[1,4-dihydroimidazole-5,4'-2,3-dihydro-1H-naphthalene]-2-amine?
1'-methylspiro[1,4-dihydroimidazole-5,4'-2,3-dihydro-1H-naphthalene]-2-amine has a molecular weight of 215.30 g/mol, XLogP of 1.70, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methylspiro[1,4-dihydroimidazole-5,4'-2,3-dihydro-1H-naphthalene]-2-amine is sourced from PubChem (CID 115420947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).