(Z)-5-methyl-N-(1,9,9-trimethyl-1,2,3,4b,8a,9a-hexahydrofluoren-2-yl)hex-3-en-2-imine

C23H33N — CID 123268418

IUPAC(Z)-5-methyl-N-(1,9,9-trimethyl-1,2,3,4b,8a,9a-hexahydrofluoren-2-yl)hex-3-en-2-imine
SMILESCC(/C=C\C(C)C)=N\C1CC=C2C3C=CC=CC3C(C)(C)C2C1C
InChIInChI=1S/C23H33N/c1-15(2)11-12-16(3)24-21-14-13-19-18-9-7-8-10-20(18)23(5,6)22(19)17(21)4/h7-13,15,17-18,20-22H,14H2,1-6H3/b12-11-,24-16+
InChIKeyBNSAFZNACHKMCX-CIWMCXQZSA-N
MW323.52 g/mol
LogP6.01
Rot. Bonds3

About (Z)-5-methyl-N-(1,9,9-trimethyl-1,2,3,4b,8a,9a-hexahydrofluoren-2-yl)hex-3-en-2-imine

(Z)-5-methyl-N-(1,9,9-trimethyl-1,2,3,4b,8a,9a-hexahydrofluoren-2-yl)hex-3-en-2-imine (PubChem CID 123268418) has the molecular formula C23H33N and a molecular weight of 323.52 g/mol. Its IUPAC name is (Z)-5-methyl-N-(1,9,9-trimethyl-1,2,3,4b,8a,9a-hexahydrofluoren-2-yl)hex-3-en-2-imine.

Molecular Properties

Compound Name(Z)-5-methyl-N-(1,9,9-trimethyl-1,2,3,4b,8a,9a-hexahydrofluoren-2-yl)hex-3-en-2-imine
PubChem CID123268418
Molecular FormulaC23H33N
Molecular Weight323.52 g/mol
Exact Mass323.26
IUPAC Name(Z)-5-methyl-N-(1,9,9-trimethyl-1,2,3,4b,8a,9a-hexahydrofluoren-2-yl)hex-3-en-2-imine
SMILESCC(/C=C\C(C)C)=N\C1CC=C2C3C=CC=CC3C(C)(C)C2C1C
InChIInChI=1S/C23H33N/c1-15(2)11-12-16(3)24-21-14-13-19-18-9-7-8-10-20(18)23(5,6)22(19)17(21)4/h7-13,15,17-18,20-22H,14H2,1-6H3/b12-11-,24-16+
InChIKeyBNSAFZNACHKMCX-CIWMCXQZSA-N
XLogP6.01
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.52
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3aR,9aS,9bS)-6,9a-dimethyl-3,3a,4,9b-tetrahydrocyclopenta[c]quinoline
CID 134983011
(3aS,9aR,9bR)-6,9a-dimethyl-3,3a,4,9b-tetrahydrocyclopenta[c]quinoline
CID 10965517
N-[[4-(3,6-dimethylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-yl]methyl]-5,6,6-triethyl-3,7-dimethyloctan-2-imine
CID 123401859
4-(4,7a-dimethyl-1,2,3,3a,4,7-hexahydroinden-1-yl)-2-propan-2-ylidene-N-propylhexa-3,5-dien-1-imine
CID 123417329
10-(2,5,5-Trimethylhexan-3-yl)-4a,8,9,10b-tetrahydrocyclohepta[b]indole
CID 123542412
3,3-Dimethyl-2-(4-methylpentyl)-2,3a,4,5-tetrahydroindole
CID 123545015
3-[2,5,5,6-tetramethyl-3-(6-methylcyclohexa-1,5-dien-1-yl)hept-6-en-3-yl]-3a,7a-dihydro-3H-indole
CID 123555378
(3E,7E)-9-[cyclobutylidene-(3-methylcyclopentyl)methyl]-N-(3-ethyl-3-methylpentyl)-2,2,3,4,10-pentamethylundeca-3,7,9-trien-5-imine
CID 123575445
9-ethyl-N,9-dimethyl-3,8,8a,9a-tetrahydro-1H-fluoren-2-imine
CID 123604765
6-(2,3-dimethylpentan-2-yl)-2,4,6-trimethyl-3-methylidene-7,7a-dihydro-5H-cyclopenta[b]pyridine
CID 126670215
(4Z,5E)-6-[6-(3,4-dimethyloct-5-en-4-yl)cyclohexa-1,3-dien-1-yl]-4-ethylidene-5-(2-methylpropylidene)-2,3-dihydropyridine
CID 144490186
4-(2-cyclohexa-1,3-dien-1-ylcyclohex-2-en-1-yl)-2-cyclohex-3-en-1-yl-5-propan-2-yl-3,4-dihydro-2H-pyrrole
CID 156315991

Frequently Asked Questions

What is the IUPAC name of (Z)-5-methyl-N-(1,9,9-trimethyl-1,2,3,4b,8a,9a-hexahydrofluoren-2-yl)hex-3-en-2-imine?
The IUPAC name of (Z)-5-methyl-N-(1,9,9-trimethyl-1,2,3,4b,8a,9a-hexahydrofluoren-2-yl)hex-3-en-2-imine (CID 123268418) is (Z)-5-methyl-N-(1,9,9-trimethyl-1,2,3,4b,8a,9a-hexahydrofluoren-2-yl)hex-3-en-2-imine.
What is the SMILES notation for (Z)-5-methyl-N-(1,9,9-trimethyl-1,2,3,4b,8a,9a-hexahydrofluoren-2-yl)hex-3-en-2-imine?
The canonical SMILES for (Z)-5-methyl-N-(1,9,9-trimethyl-1,2,3,4b,8a,9a-hexahydrofluoren-2-yl)hex-3-en-2-imine is CC(/C=C\C(C)C)=N\C1CC=C2C3C=CC=CC3C(C)(C)C2C1C.
What is the InChIKey of (Z)-5-methyl-N-(1,9,9-trimethyl-1,2,3,4b,8a,9a-hexahydrofluoren-2-yl)hex-3-en-2-imine?
The InChIKey is BNSAFZNACHKMCX-CIWMCXQZSA-N. The full InChI is InChI=1S/C23H33N/c1-15(2)11-12-16(3)24-21-14-13-19-18-9-7-8-10-20(18)23(5,6)22(19)17(21)4/h7-13,15,17-18,20-22H,14H2,1-6H3/b12-11-,24-16+.
What are the key properties of (Z)-5-methyl-N-(1,9,9-trimethyl-1,2,3,4b,8a,9a-hexahydrofluoren-2-yl)hex-3-en-2-imine?
(Z)-5-methyl-N-(1,9,9-trimethyl-1,2,3,4b,8a,9a-hexahydrofluoren-2-yl)hex-3-en-2-imine has a molecular weight of 323.52 g/mol, XLogP of 6.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-methyl-N-(1,9,9-trimethyl-1,2,3,4b,8a,9a-hexahydrofluoren-2-yl)hex-3-en-2-imine is sourced from PubChem (CID 123268418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).