1'-[2-(dimethylamino)ethyl]-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine

C17H26N4 — CID 115420948

IUPAC1'-[2-(dimethylamino)ethyl]-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine
SMILESCC1CCC2(CN=C(N)N2CCN(C)C)c2ccccc21
InChIInChI=1S/C17H26N4/c1-13-8-9-17(15-7-5-4-6-14(13)15)12-19-16(18)21(17)11-10-20(2)3/h4-7,13H,8-12H2,1-3H3,(H2,18,19)
InChIKeyDSORFUBCAOKDJO-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.97
Rot. Bonds3

About 1'-[2-(dimethylamino)ethyl]-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine

1'-[2-(dimethylamino)ethyl]-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine (PubChem CID 115420948) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1'-[2-(dimethylamino)ethyl]-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine.

Molecular Properties

Compound Name1'-[2-(dimethylamino)ethyl]-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine
PubChem CID115420948
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name1'-[2-(dimethylamino)ethyl]-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine
SMILESCC1CCC2(CN=C(N)N2CCN(C)C)c2ccccc21
InChIInChI=1S/C17H26N4/c1-13-8-9-17(15-7-5-4-6-14(13)15)12-19-16(18)21(17)11-10-20(2)3/h4-7,13H,8-12H2,1-3H3,(H2,18,19)
InChIKeyDSORFUBCAOKDJO-UHFFFAOYSA-N
XLogP1.97
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-[2-(dimethylamino)ethyl]-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine?
The IUPAC name of 1'-[2-(dimethylamino)ethyl]-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine (CID 115420948) is 1'-[2-(dimethylamino)ethyl]-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine.
What is the SMILES notation for 1'-[2-(dimethylamino)ethyl]-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine?
The canonical SMILES for 1'-[2-(dimethylamino)ethyl]-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine is CC1CCC2(CN=C(N)N2CCN(C)C)c2ccccc21.
What is the InChIKey of 1'-[2-(dimethylamino)ethyl]-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine?
The InChIKey is DSORFUBCAOKDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-13-8-9-17(15-7-5-4-6-14(13)15)12-19-16(18)21(17)11-10-20(2)3/h4-7,13H,8-12H2,1-3H3,(H2,18,19).
What are the key properties of 1'-[2-(dimethylamino)ethyl]-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine?
1'-[2-(dimethylamino)ethyl]-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine has a molecular weight of 286.42 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(dimethylamino)ethyl]-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine is sourced from PubChem (CID 115420948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).