3-cyclohex-2-en-1-yl-4,4b,7,9,9-pentamethyl-4,4a,7,8,8a,9a-hexahydro-1H-fluoren-2-amine

C24H37N — CID 71234801

IUPAC3-cyclohex-2-en-1-yl-4,4b,7,9,9-pentamethyl-4,4a,7,8,8a,9a-hexahydro-1H-fluoren-2-amine
SMILESCC1C=CC2(C)C3C(C)C(C4C=CCCC4)=C(N)CC3C(C)(C)C2C1
InChIInChI=1S/C24H37N/c1-15-11-12-24(5)20(13-15)23(3,4)18-14-19(25)21(16(2)22(18)24)17-9-7-6-8-10-17/h7,9,11-12,15-18,20,22H,6,8,10,13-14,25H2,1-5H3
InChIKeyGETBXAAWFXEDCX-UHFFFAOYSA-N
MW339.57 g/mol
LogP6.09
Rot. Bonds1

About 3-cyclohex-2-en-1-yl-4,4b,7,9,9-pentamethyl-4,4a,7,8,8a,9a-hexahydro-1H-fluoren-2-amine

3-cyclohex-2-en-1-yl-4,4b,7,9,9-pentamethyl-4,4a,7,8,8a,9a-hexahydro-1H-fluoren-2-amine (PubChem CID 71234801) has the molecular formula C24H37N and a molecular weight of 339.57 g/mol. Its IUPAC name is 3-cyclohex-2-en-1-yl-4,4b,7,9,9-pentamethyl-4,4a,7,8,8a,9a-hexahydro-1H-fluoren-2-amine.

Molecular Properties

Compound Name3-cyclohex-2-en-1-yl-4,4b,7,9,9-pentamethyl-4,4a,7,8,8a,9a-hexahydro-1H-fluoren-2-amine
PubChem CID71234801
Molecular FormulaC24H37N
Molecular Weight339.57 g/mol
Exact Mass339.29
IUPAC Name3-cyclohex-2-en-1-yl-4,4b,7,9,9-pentamethyl-4,4a,7,8,8a,9a-hexahydro-1H-fluoren-2-amine
SMILESCC1C=CC2(C)C3C(C)C(C4C=CCCC4)=C(N)CC3C(C)(C)C2C1
InChIInChI=1S/C24H37N/c1-15-11-12-24(5)20(13-15)23(3,4)18-14-19(25)21(16(2)22(18)24)17-9-7-6-8-10-17/h7,9,11-12,15-18,20,22H,6,8,10,13-14,25H2,1-5H3
InChIKeyGETBXAAWFXEDCX-UHFFFAOYSA-N
XLogP6.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.57
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohex-2-en-1-yl-4,4b,7,9,9-pentamethyl-4,4a,7,8,8a,9a-hexahydro-1H-fluoren-2-amine?
The IUPAC name of 3-cyclohex-2-en-1-yl-4,4b,7,9,9-pentamethyl-4,4a,7,8,8a,9a-hexahydro-1H-fluoren-2-amine (CID 71234801) is 3-cyclohex-2-en-1-yl-4,4b,7,9,9-pentamethyl-4,4a,7,8,8a,9a-hexahydro-1H-fluoren-2-amine.
What is the SMILES notation for 3-cyclohex-2-en-1-yl-4,4b,7,9,9-pentamethyl-4,4a,7,8,8a,9a-hexahydro-1H-fluoren-2-amine?
The canonical SMILES for 3-cyclohex-2-en-1-yl-4,4b,7,9,9-pentamethyl-4,4a,7,8,8a,9a-hexahydro-1H-fluoren-2-amine is CC1C=CC2(C)C3C(C)C(C4C=CCCC4)=C(N)CC3C(C)(C)C2C1.
What is the InChIKey of 3-cyclohex-2-en-1-yl-4,4b,7,9,9-pentamethyl-4,4a,7,8,8a,9a-hexahydro-1H-fluoren-2-amine?
The InChIKey is GETBXAAWFXEDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N/c1-15-11-12-24(5)20(13-15)23(3,4)18-14-19(25)21(16(2)22(18)24)17-9-7-6-8-10-17/h7,9,11-12,15-18,20,22H,6,8,10,13-14,25H2,1-5H3.
What are the key properties of 3-cyclohex-2-en-1-yl-4,4b,7,9,9-pentamethyl-4,4a,7,8,8a,9a-hexahydro-1H-fluoren-2-amine?
3-cyclohex-2-en-1-yl-4,4b,7,9,9-pentamethyl-4,4a,7,8,8a,9a-hexahydro-1H-fluoren-2-amine has a molecular weight of 339.57 g/mol, XLogP of 6.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohex-2-en-1-yl-4,4b,7,9,9-pentamethyl-4,4a,7,8,8a,9a-hexahydro-1H-fluoren-2-amine is sourced from PubChem (CID 71234801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).