1'-butan-2-yl-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine

C17H25N3 — CID 115420955

IUPAC1'-butan-2-yl-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine
SMILESCCC(C)N1C(N)=NCC12CCC(C)c1ccccc12
InChIInChI=1S/C17H25N3/c1-4-13(3)20-16(18)19-11-17(20)10-9-12(2)14-7-5-6-8-15(14)17/h5-8,12-13H,4,9-11H2,1-3H3,(H2,18,19)
InChIKeyIOOZXGWMRRJVSZ-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.21
Rot. Bonds2

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

1'-butan-2-yl-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine (PubChem CID 115420955) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1'-butan-2-yl-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine.

Molecular Properties

Compound Name1'-butan-2-yl-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine
PubChem CID115420955
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1'-butan-2-yl-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine
SMILESCCC(C)N1C(N)=NCC12CCC(C)c1ccccc12
InChIInChI=1S/C17H25N3/c1-4-13(3)20-16(18)19-11-17(20)10-9-12(2)14-7-5-6-8-15(14)17/h5-8,12-13H,4,9-11H2,1-3H3,(H2,18,19)
InChIKeyIOOZXGWMRRJVSZ-UHFFFAOYSA-N
XLogP3.21
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1'-[2-(dimethylamino)ethyl]-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine
CID 115420948
1'-butan-2-ylspiro[1,3-dihydroindene-2,5'-4H-imidazole]-2'-amine
CID 79514665
1-butan-2-yl-8-ethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79514290
1'-methylspiro[1,4-dihydroimidazole-5,4'-2,3-dihydro-1H-naphthalene]-2-amine
CID 115420947
1-butan-2-yl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79514972
1-butan-2-yl-1,3-diazaspiro[4.7]dodec-2-en-2-amine
CID 79515044
2'-amino-1'-butan-2-ylspiro[2H-1-benzofuran-3,5'-4H-imidazole]-6-ol
CID 79515037
(1R,4R)-4-ethyl-1,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 97103179
1-butan-2-yl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine
CID 79514662
5-butan-2-yl-2-propan-2-yl-5,7-diazaspiro[3.4]oct-6-en-6-amine
CID 103565697
1-butan-2-yl-6-methoxy-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 106874968
1-hexyl-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
CID 115419755

Frequently Asked Questions

What is the IUPAC name of 1'-butan-2-yl-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine?
The IUPAC name of 1'-butan-2-yl-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine (CID 115420955) is 1'-butan-2-yl-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine.
What is the SMILES notation for 1'-butan-2-yl-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine?
The canonical SMILES for 1'-butan-2-yl-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine is CCC(C)N1C(N)=NCC12CCC(C)c1ccccc12.
What is the InChIKey of 1'-butan-2-yl-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine?
The InChIKey is IOOZXGWMRRJVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-4-13(3)20-16(18)19-11-17(20)10-9-12(2)14-7-5-6-8-15(14)17/h5-8,12-13H,4,9-11H2,1-3H3,(H2,18,19).
What are the key properties of 1'-butan-2-yl-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine?
1'-butan-2-yl-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine has a molecular weight of 271.41 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-butan-2-yl-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine is sourced from PubChem (CID 115420955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).