1-amino-2-cyclopentyl-7,7-dimethyl-6,8-dihydrochrysen-5-one

C25H27NO — CID 174523936

IUPAC1-amino-2-cyclopentyl-7,7-dimethyl-6,8-dihydrochrysen-5-one
SMILESCC1(C)CC=CC2=C1CC(=O)c1c2ccc2c(N)c(C3CCCC3)ccc12
InChIInChI=1S/C25H27NO/c1-25(2)13-5-8-17-18-11-12-20-19(23(18)22(27)14-21(17)25)10-9-16(24(20)26)15-6-3-4-7-15/h5,8-12,15H,3-4,6-7,13-14,26H2,1-2H3
InChIKeyRXIAPUNIPOUYGE-UHFFFAOYSA-N
MW357.50 g/mol
LogP6.41
Rot. Bonds1

About 1-amino-2-cyclopentyl-7,7-dimethyl-6,8-dihydrochrysen-5-one

1-amino-2-cyclopentyl-7,7-dimethyl-6,8-dihydrochrysen-5-one (PubChem CID 174523936) has the molecular formula C25H27NO and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-amino-2-cyclopentyl-7,7-dimethyl-6,8-dihydrochrysen-5-one.

Molecular Properties

Compound Name1-amino-2-cyclopentyl-7,7-dimethyl-6,8-dihydrochrysen-5-one
PubChem CID174523936
Molecular FormulaC25H27NO
Molecular Weight357.50 g/mol
Exact Mass357.21
IUPAC Name1-amino-2-cyclopentyl-7,7-dimethyl-6,8-dihydrochrysen-5-one
SMILESCC1(C)CC=CC2=C1CC(=O)c1c2ccc2c(N)c(C3CCCC3)ccc12
InChIInChI=1S/C25H27NO/c1-25(2)13-5-8-17-18-11-12-20-19(23(18)22(27)14-21(17)25)10-9-16(24(20)26)15-6-3-4-7-15/h5,8-12,15H,3-4,6-7,13-14,26H2,1-2H3
InChIKeyRXIAPUNIPOUYGE-UHFFFAOYSA-N
XLogP6.41
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.50
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-cyclopentyl-5,6,7,8-tetrahydrochrysen-1-amine
CID 174584094
2-[4-(4-fluorophenyl)piperazin-1-yl]-7,7-dimethyl-6,8-dihydrochrysen-5-one;quinoline-3-carbonitrile
CID 174510031
2,6-di(cycloheptyl)aniline
CID 156891849
2,6-di(cyclobutyl)aniline
CID 172550384
1,6-bis(2,6-dicyclopentylphenyl)pyrene
CID 149206447
2,6-dicyclopropylaniline
CID 129249080
2-cyclobutyl-6-methylsulfonylaniline
CID 156805851
2-[6-(4-cyclohexyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-3-methyldibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 167357386
9-cyclopropyl-11-methyl-1,2,11,12-tetrahydrochrysene
CID 174854250
2-cyclopentyl-1,4-diphenylnaphthalene
CID 15981874
2-cyclohexyl-5-fluoroaniline
CID 19754670
1,2,4,5-tetrakis(2,6-dicyclohexylphenyl)benzene
CID 176589303

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclopentyl-7,7-dimethyl-6,8-dihydrochrysen-5-one?
The IUPAC name of 1-amino-2-cyclopentyl-7,7-dimethyl-6,8-dihydrochrysen-5-one (CID 174523936) is 1-amino-2-cyclopentyl-7,7-dimethyl-6,8-dihydrochrysen-5-one.
What is the SMILES notation for 1-amino-2-cyclopentyl-7,7-dimethyl-6,8-dihydrochrysen-5-one?
The canonical SMILES for 1-amino-2-cyclopentyl-7,7-dimethyl-6,8-dihydrochrysen-5-one is CC1(C)CC=CC2=C1CC(=O)c1c2ccc2c(N)c(C3CCCC3)ccc12.
What is the InChIKey of 1-amino-2-cyclopentyl-7,7-dimethyl-6,8-dihydrochrysen-5-one?
The InChIKey is RXIAPUNIPOUYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO/c1-25(2)13-5-8-17-18-11-12-20-19(23(18)22(27)14-21(17)25)10-9-16(24(20)26)15-6-3-4-7-15/h5,8-12,15H,3-4,6-7,13-14,26H2,1-2H3.
What are the key properties of 1-amino-2-cyclopentyl-7,7-dimethyl-6,8-dihydrochrysen-5-one?
1-amino-2-cyclopentyl-7,7-dimethyl-6,8-dihydrochrysen-5-one has a molecular weight of 357.50 g/mol, XLogP of 6.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclopentyl-7,7-dimethyl-6,8-dihydrochrysen-5-one is sourced from PubChem (CID 174523936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).