3-cyclohex-3-en-1-yl-7-(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)-N,8-dimethyl-4-methylidene-2,3,6,7-tetrahydro-1H-naphthalen-1-amine

C26H34FN — CID 135128083

IUPAC3-cyclohex-3-en-1-yl-7-(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)-N,8-dimethyl-4-methylidene-2,3,6,7-tetrahydro-1H-naphthalen-1-amine
SMILESC=C1C2=CCC(C3CC=C(F)C=C3C)C(C)=C2C(NC)CC1C1CC=CCC1
InChIInChI=1S/C26H34FN/c1-16-14-20(27)10-11-21(16)22-12-13-23-17(2)24(19-8-6-5-7-9-19)15-25(28-4)26(23)18(22)3/h5-6,10,13-14,19,21-22,24-25,28H,2,7-9,11-12,15H2,1,3-4H3
InChIKeyHEHDGOFECRVNTI-UHFFFAOYSA-N
MW379.56 g/mol
LogP6.59
Rot. Bonds3

About 3-cyclohex-3-en-1-yl-7-(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)-N,8-dimethyl-4-methylidene-2,3,6,7-tetrahydro-1H-naphthalen-1-amine

3-cyclohex-3-en-1-yl-7-(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)-N,8-dimethyl-4-methylidene-2,3,6,7-tetrahydro-1H-naphthalen-1-amine (PubChem CID 135128083) has the molecular formula C26H34FN and a molecular weight of 379.56 g/mol. Its IUPAC name is 3-cyclohex-3-en-1-yl-7-(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)-N,8-dimethyl-4-methylidene-2,3,6,7-tetrahydro-1H-naphthalen-1-amine.

Molecular Properties

Compound Name3-cyclohex-3-en-1-yl-7-(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)-N,8-dimethyl-4-methylidene-2,3,6,7-tetrahydro-1H-naphthalen-1-amine
PubChem CID135128083
Molecular FormulaC26H34FN
Molecular Weight379.56 g/mol
Exact Mass379.27
IUPAC Name3-cyclohex-3-en-1-yl-7-(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)-N,8-dimethyl-4-methylidene-2,3,6,7-tetrahydro-1H-naphthalen-1-amine
SMILESC=C1C2=CCC(C3CC=C(F)C=C3C)C(C)=C2C(NC)CC1C1CC=CCC1
InChIInChI=1S/C26H34FN/c1-16-14-20(27)10-11-21(16)22-12-13-23-17(2)24(19-8-6-5-7-9-19)15-25(28-4)26(23)18(22)3/h5-6,10,13-14,19,21-22,24-25,28H,2,7-9,11-12,15H2,1,3-4H3
InChIKeyHEHDGOFECRVNTI-UHFFFAOYSA-N
XLogP6.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.56
LogP ≤ 56.59
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-3-en-1-yl-7-(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)-N,8-dimethyl-4-methylidene-2,3,6,7-tetrahydro-1H-naphthalen-1-amine?
The IUPAC name of 3-cyclohex-3-en-1-yl-7-(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)-N,8-dimethyl-4-methylidene-2,3,6,7-tetrahydro-1H-naphthalen-1-amine (CID 135128083) is 3-cyclohex-3-en-1-yl-7-(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)-N,8-dimethyl-4-methylidene-2,3,6,7-tetrahydro-1H-naphthalen-1-amine.
What is the SMILES notation for 3-cyclohex-3-en-1-yl-7-(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)-N,8-dimethyl-4-methylidene-2,3,6,7-tetrahydro-1H-naphthalen-1-amine?
The canonical SMILES for 3-cyclohex-3-en-1-yl-7-(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)-N,8-dimethyl-4-methylidene-2,3,6,7-tetrahydro-1H-naphthalen-1-amine is C=C1C2=CCC(C3CC=C(F)C=C3C)C(C)=C2C(NC)CC1C1CC=CCC1.
What is the InChIKey of 3-cyclohex-3-en-1-yl-7-(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)-N,8-dimethyl-4-methylidene-2,3,6,7-tetrahydro-1H-naphthalen-1-amine?
The InChIKey is HEHDGOFECRVNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN/c1-16-14-20(27)10-11-21(16)22-12-13-23-17(2)24(19-8-6-5-7-9-19)15-25(28-4)26(23)18(22)3/h5-6,10,13-14,19,21-22,24-25,28H,2,7-9,11-12,15H2,1,3-4H3.
What are the key properties of 3-cyclohex-3-en-1-yl-7-(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)-N,8-dimethyl-4-methylidene-2,3,6,7-tetrahydro-1H-naphthalen-1-amine?
3-cyclohex-3-en-1-yl-7-(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)-N,8-dimethyl-4-methylidene-2,3,6,7-tetrahydro-1H-naphthalen-1-amine has a molecular weight of 379.56 g/mol, XLogP of 6.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohex-3-en-1-yl-7-(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)-N,8-dimethyl-4-methylidene-2,3,6,7-tetrahydro-1H-naphthalen-1-amine is sourced from PubChem (CID 135128083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).