1'-cyclopentyl-3-methylspiro[2,3-dihydrochromene-4,5'-4H-imidazole]-2'-amine

C17H23N3O — CID 104524957

IUPAC1'-cyclopentyl-3-methylspiro[2,3-dihydrochromene-4,5'-4H-imidazole]-2'-amine
SMILESCC1COc2ccccc2C12CN=C(N)N2C1CCCC1
InChIInChI=1S/C17H23N3O/c1-12-10-21-15-9-5-4-8-14(15)17(12)11-19-16(18)20(17)13-6-2-3-7-13/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3,(H2,18,19)
InChIKeyDKNNYRLNOOXZNB-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.48
Rot. Bonds1

About 1'-cyclopentyl-3-methylspiro[2,3-dihydrochromene-4,5'-4H-imidazole]-2'-amine

1'-cyclopentyl-3-methylspiro[2,3-dihydrochromene-4,5'-4H-imidazole]-2'-amine (PubChem CID 104524957) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1'-cyclopentyl-3-methylspiro[2,3-dihydrochromene-4,5'-4H-imidazole]-2'-amine.

Molecular Properties

Compound Name1'-cyclopentyl-3-methylspiro[2,3-dihydrochromene-4,5'-4H-imidazole]-2'-amine
PubChem CID104524957
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1'-cyclopentyl-3-methylspiro[2,3-dihydrochromene-4,5'-4H-imidazole]-2'-amine
SMILESCC1COc2ccccc2C12CN=C(N)N2C1CCCC1
InChIInChI=1S/C17H23N3O/c1-12-10-21-15-9-5-4-8-14(15)17(12)11-19-16(18)20(17)13-6-2-3-7-13/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3,(H2,18,19)
InChIKeyDKNNYRLNOOXZNB-UHFFFAOYSA-N
XLogP2.48
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1'-cyclopentyl-3-methylspiro[2,3-dihydrochromene-4,5'-4H-imidazole]-2'-amine 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

3-methyl-1'-(2-methylpropyl)spiro[2,3-dihydrochromene-4,5'-4H-imidazole]-2'-amine
CID 104524950
1-cyclopentyl-5-(2-ethoxyphenyl)-5-methyl-4H-imidazol-2-amine
CID 79502964
[4-(cyclopentylamino)-3-methyl-2,3-dihydrochromen-4-yl]methanol
CID 104524708
[4-(cycloheptylamino)-3-methyl-2,3-dihydrochromen-4-yl]methanol
CID 104524707
4-amino-3-methyl-2,3-dihydrochromene-4-carbonitrile
CID 104524420
1-cycloheptyl-5-cyclopropyl-5-ethyl-4H-imidazol-2-amine
CID 79498255
3-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydrochromen-4-amine
CID 104524640
3-methyl-4-pyrrolidin-1-yl-2,3-dihydrochromene-4-carboxylic acid
CID 104524669
1-cyclopropyl-6-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 105404157
5-(3-chlorophenyl)-1-cycloheptyl-5-methyl-4H-imidazol-2-amine
CID 79498841
3',5-dimethylspiro[1,3-thiazolidine-2,4'-2,3-dihydrochromene]
CID 104524724
4-hydroxy-3-methyl-2,3-dihydrochromene-4-carbonitrile
CID 104524636

Frequently Asked Questions

What is the IUPAC name of 1'-cyclopentyl-3-methylspiro[2,3-dihydrochromene-4,5'-4H-imidazole]-2'-amine?
The IUPAC name of 1'-cyclopentyl-3-methylspiro[2,3-dihydrochromene-4,5'-4H-imidazole]-2'-amine (CID 104524957) is 1'-cyclopentyl-3-methylspiro[2,3-dihydrochromene-4,5'-4H-imidazole]-2'-amine.
What is the SMILES notation for 1'-cyclopentyl-3-methylspiro[2,3-dihydrochromene-4,5'-4H-imidazole]-2'-amine?
The canonical SMILES for 1'-cyclopentyl-3-methylspiro[2,3-dihydrochromene-4,5'-4H-imidazole]-2'-amine is CC1COc2ccccc2C12CN=C(N)N2C1CCCC1.
What is the InChIKey of 1'-cyclopentyl-3-methylspiro[2,3-dihydrochromene-4,5'-4H-imidazole]-2'-amine?
The InChIKey is DKNNYRLNOOXZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-10-21-15-9-5-4-8-14(15)17(12)11-19-16(18)20(17)13-6-2-3-7-13/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3,(H2,18,19).
What are the key properties of 1'-cyclopentyl-3-methylspiro[2,3-dihydrochromene-4,5'-4H-imidazole]-2'-amine?
1'-cyclopentyl-3-methylspiro[2,3-dihydrochromene-4,5'-4H-imidazole]-2'-amine has a molecular weight of 285.39 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-cyclopentyl-3-methylspiro[2,3-dihydrochromene-4,5'-4H-imidazole]-2'-amine is sourced from PubChem (CID 104524957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).