6,9,9-trimethyl-1-(1-methylcyclohexa-2,4-dien-1-yl)-3,4,4a,5,6,9a-hexahydrofluoren-2-amine

C23H31N — CID 71234805

IUPAC6,9,9-trimethyl-1-(1-methylcyclohexa-2,4-dien-1-yl)-3,4,4a,5,6,9a-hexahydrofluoren-2-amine
SMILESCC1C=CC2=C(C1)C1CCC(N)=C(C3(C)C=CC=CC3)C1C2(C)C
InChIInChI=1S/C23H31N/c1-15-8-10-18-17(14-15)16-9-11-19(24)21(20(16)22(18,2)3)23(4)12-6-5-7-13-23/h5-8,10,12,15-16,20H,9,11,13-14,24H2,1-4H3
InChIKeyPGOOKFYLDJKPDN-UHFFFAOYSA-N
MW321.51 g/mol
LogP5.68
Rot. Bonds1

About 6,9,9-trimethyl-1-(1-methylcyclohexa-2,4-dien-1-yl)-3,4,4a,5,6,9a-hexahydrofluoren-2-amine

6,9,9-trimethyl-1-(1-methylcyclohexa-2,4-dien-1-yl)-3,4,4a,5,6,9a-hexahydrofluoren-2-amine (PubChem CID 71234805) has the molecular formula C23H31N and a molecular weight of 321.51 g/mol. Its IUPAC name is 6,9,9-trimethyl-1-(1-methylcyclohexa-2,4-dien-1-yl)-3,4,4a,5,6,9a-hexahydrofluoren-2-amine.

Molecular Properties

Compound Name6,9,9-trimethyl-1-(1-methylcyclohexa-2,4-dien-1-yl)-3,4,4a,5,6,9a-hexahydrofluoren-2-amine
PubChem CID71234805
Molecular FormulaC23H31N
Molecular Weight321.51 g/mol
Exact Mass321.25
IUPAC Name6,9,9-trimethyl-1-(1-methylcyclohexa-2,4-dien-1-yl)-3,4,4a,5,6,9a-hexahydrofluoren-2-amine
SMILESCC1C=CC2=C(C1)C1CCC(N)=C(C3(C)C=CC=CC3)C1C2(C)C
InChIInChI=1S/C23H31N/c1-15-8-10-18-17(14-15)16-9-11-19(24)21(20(16)22(18,2)3)23(4)12-6-5-7-13-23/h5-8,10,12,15-16,20H,9,11,13-14,24H2,1-4H3
InChIKeyPGOOKFYLDJKPDN-UHFFFAOYSA-N
XLogP5.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.51
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,9,9-trimethyl-1-(1-methylcyclohexa-2,4-dien-1-yl)-3,4,4a,5,6,9a-hexahydrofluoren-2-amine?
The IUPAC name of 6,9,9-trimethyl-1-(1-methylcyclohexa-2,4-dien-1-yl)-3,4,4a,5,6,9a-hexahydrofluoren-2-amine (CID 71234805) is 6,9,9-trimethyl-1-(1-methylcyclohexa-2,4-dien-1-yl)-3,4,4a,5,6,9a-hexahydrofluoren-2-amine.
What is the SMILES notation for 6,9,9-trimethyl-1-(1-methylcyclohexa-2,4-dien-1-yl)-3,4,4a,5,6,9a-hexahydrofluoren-2-amine?
The canonical SMILES for 6,9,9-trimethyl-1-(1-methylcyclohexa-2,4-dien-1-yl)-3,4,4a,5,6,9a-hexahydrofluoren-2-amine is CC1C=CC2=C(C1)C1CCC(N)=C(C3(C)C=CC=CC3)C1C2(C)C.
What is the InChIKey of 6,9,9-trimethyl-1-(1-methylcyclohexa-2,4-dien-1-yl)-3,4,4a,5,6,9a-hexahydrofluoren-2-amine?
The InChIKey is PGOOKFYLDJKPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N/c1-15-8-10-18-17(14-15)16-9-11-19(24)21(20(16)22(18,2)3)23(4)12-6-5-7-13-23/h5-8,10,12,15-16,20H,9,11,13-14,24H2,1-4H3.
What are the key properties of 6,9,9-trimethyl-1-(1-methylcyclohexa-2,4-dien-1-yl)-3,4,4a,5,6,9a-hexahydrofluoren-2-amine?
6,9,9-trimethyl-1-(1-methylcyclohexa-2,4-dien-1-yl)-3,4,4a,5,6,9a-hexahydrofluoren-2-amine has a molecular weight of 321.51 g/mol, XLogP of 5.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9,9-trimethyl-1-(1-methylcyclohexa-2,4-dien-1-yl)-3,4,4a,5,6,9a-hexahydrofluoren-2-amine is sourced from PubChem (CID 71234805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).