2-tert-butyl-9-ethyl-9-methyl-2,7,8,10-tetrahydro-1H-acridine

C20H29N — CID 144559186

IUPAC2-tert-butyl-9-ethyl-9-methyl-2,7,8,10-tetrahydro-1H-acridine
SMILESCCC1(C)C2=C(C=CCC2)NC2=C1CC(C(C)(C)C)C=C2
InChIInChI=1S/C20H29N/c1-6-20(5)15-9-7-8-10-17(15)21-18-12-11-14(13-16(18)20)19(2,3)4/h8,10-12,14,21H,6-7,9,13H2,1-5H3
InChIKeyJYMJHBOPDINOJT-UHFFFAOYSA-N
MW283.46 g/mol
LogP5.49
Rot. Bonds1

About 2-tert-butyl-9-ethyl-9-methyl-2,7,8,10-tetrahydro-1H-acridine

2-tert-butyl-9-ethyl-9-methyl-2,7,8,10-tetrahydro-1H-acridine (PubChem CID 144559186) has the molecular formula C20H29N and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-tert-butyl-9-ethyl-9-methyl-2,7,8,10-tetrahydro-1H-acridine.

Molecular Properties

Compound Name2-tert-butyl-9-ethyl-9-methyl-2,7,8,10-tetrahydro-1H-acridine
PubChem CID144559186
Molecular FormulaC20H29N
Molecular Weight283.46 g/mol
Exact Mass283.23
IUPAC Name2-tert-butyl-9-ethyl-9-methyl-2,7,8,10-tetrahydro-1H-acridine
SMILESCCC1(C)C2=C(C=CCC2)NC2=C1CC(C(C)(C)C)C=C2
InChIInChI=1S/C20H29N/c1-6-20(5)15-9-7-8-10-17(15)21-18-12-11-14(13-16(18)20)19(2,3)4/h8,10-12,14,21H,6-7,9,13H2,1-5H3
InChIKeyJYMJHBOPDINOJT-UHFFFAOYSA-N
XLogP5.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.46
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(5-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-fluorocyclohexa-1,3-dien-1-yl)-2-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-amine
CID 70913239
6-[6-(2-fluoropropan-2-yl)cyclohexa-2,4-dien-1-yl]-N,4a-dimethyl-7-methylidene-4,8-dihydronaphthalen-2-amine
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N-prop-1-en-2-yl-3-[[3-(prop-1-en-2-ylamino)cyclohexa-2,4-dien-1-yl]methyl]benzene-4-id-1-amine;yttrium
CID 59552256
N-(cyclohexen-1-yl)-9,9-dimethyl-1,7,8,9a-tetrahydrofluoren-2-amine
CID 68016076
4-(2-Aminocyclohexa-1,3-dien-1-yl)-3-methyl-2-(1-methylcyclohex-3-en-1-yl)cyclohexen-1-amine
CID 71234790
2-[(3R)-3-cyclohexa-2,4-dien-1-yl-3-methylcyclohexen-1-yl]-5-methylcyclohexa-1,3-dien-1-amine
CID 71234802
6,9,9-Trimethyl-1-(1-methylcyclohexa-2,4-dien-1-yl)-3,4,4a,5,6,9a-hexahydrofluoren-2-amine
CID 71234805
4-Cyclohexa-1,3-dien-1-yl-3-methyl-2-(1-methylcyclohex-3-en-1-yl)cyclohexen-1-amine
CID 71234821
2-[(1R)-3-cyclohexa-2,4-dien-1-yl-3-methylcyclohexyl]-5-methylcyclohexa-1,3-dien-1-amine
CID 71234839
N-cyclohexa-1,5-dien-1-yl-4-methyl-2-[3-(1-methylcyclohex-3-en-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexen-1-amine
CID 71234857
4-(2-Aminocyclohexa-1,3-dien-1-yl)-4-methyl-2-(1-methylcyclohex-2-en-1-yl)cyclohexen-1-amine
CID 71234885
2-[(3R,5S)-3-cyclohexa-2,4-dien-1-yl-3,5-dimethylcyclohexen-1-yl]cyclohexa-1,3-dien-1-amine
CID 71234895

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-9-ethyl-9-methyl-2,7,8,10-tetrahydro-1H-acridine?
The IUPAC name of 2-tert-butyl-9-ethyl-9-methyl-2,7,8,10-tetrahydro-1H-acridine (CID 144559186) is 2-tert-butyl-9-ethyl-9-methyl-2,7,8,10-tetrahydro-1H-acridine.
What is the SMILES notation for 2-tert-butyl-9-ethyl-9-methyl-2,7,8,10-tetrahydro-1H-acridine?
The canonical SMILES for 2-tert-butyl-9-ethyl-9-methyl-2,7,8,10-tetrahydro-1H-acridine is CCC1(C)C2=C(C=CCC2)NC2=C1CC(C(C)(C)C)C=C2.
What is the InChIKey of 2-tert-butyl-9-ethyl-9-methyl-2,7,8,10-tetrahydro-1H-acridine?
The InChIKey is JYMJHBOPDINOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N/c1-6-20(5)15-9-7-8-10-17(15)21-18-12-11-14(13-16(18)20)19(2,3)4/h8,10-12,14,21H,6-7,9,13H2,1-5H3.
What are the key properties of 2-tert-butyl-9-ethyl-9-methyl-2,7,8,10-tetrahydro-1H-acridine?
2-tert-butyl-9-ethyl-9-methyl-2,7,8,10-tetrahydro-1H-acridine has a molecular weight of 283.46 g/mol, XLogP of 5.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-9-ethyl-9-methyl-2,7,8,10-tetrahydro-1H-acridine is sourced from PubChem (CID 144559186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).