N-[4-(6-ethyl-3,5-difluorocyclohexa-1,3-dien-1-yl)-3,3,4-trimethylpentan-2-yl]-N,6-dimethylcyclohexa-1,5-dien-1-amine

C24H37F2N — CID 155106139

IUPACN-[4-(6-ethyl-3,5-difluorocyclohexa-1,3-dien-1-yl)-3,3,4-trimethylpentan-2-yl]-N,6-dimethylcyclohexa-1,5-dien-1-amine
SMILESCCC1C(C(C)(C)C(C)(C)C(C)N(C)C2=CCCC=C2C)=CC(F)=CC1F
InChIInChI=1S/C24H37F2N/c1-9-19-20(14-18(25)15-21(19)26)24(6,7)23(4,5)17(3)27(8)22-13-11-10-12-16(22)2/h12-15,17,19,21H,9-11H2,1-8H3
InChIKeyWVERENHTBFYQOW-UHFFFAOYSA-N
MW377.56 g/mol
LogP7.14
Rot. Bonds6

About N-[4-(6-ethyl-3,5-difluorocyclohexa-1,3-dien-1-yl)-3,3,4-trimethylpentan-2-yl]-N,6-dimethylcyclohexa-1,5-dien-1-amine

N-[4-(6-ethyl-3,5-difluorocyclohexa-1,3-dien-1-yl)-3,3,4-trimethylpentan-2-yl]-N,6-dimethylcyclohexa-1,5-dien-1-amine (PubChem CID 155106139) has the molecular formula C24H37F2N and a molecular weight of 377.56 g/mol. Its IUPAC name is N-[4-(6-ethyl-3,5-difluorocyclohexa-1,3-dien-1-yl)-3,3,4-trimethylpentan-2-yl]-N,6-dimethylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound NameN-[4-(6-ethyl-3,5-difluorocyclohexa-1,3-dien-1-yl)-3,3,4-trimethylpentan-2-yl]-N,6-dimethylcyclohexa-1,5-dien-1-amine
PubChem CID155106139
Molecular FormulaC24H37F2N
Molecular Weight377.56 g/mol
Exact Mass377.29
IUPAC NameN-[4-(6-ethyl-3,5-difluorocyclohexa-1,3-dien-1-yl)-3,3,4-trimethylpentan-2-yl]-N,6-dimethylcyclohexa-1,5-dien-1-amine
SMILESCCC1C(C(C)(C)C(C)(C)C(C)N(C)C2=CCCC=C2C)=CC(F)=CC1F
InChIInChI=1S/C24H37F2N/c1-9-19-20(14-18(25)15-21(19)26)24(6,7)23(4,5)17(3)27(8)22-13-11-10-12-16(22)2/h12-15,17,19,21H,9-11H2,1-8H3
InChIKeyWVERENHTBFYQOW-UHFFFAOYSA-N
XLogP7.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.56
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[4-(6-ethyl-3,5-difluorocyclohexa-1,3-dien-1-yl)-3,3,4-trimethylpentan-2-yl]-N,6-dimethylcyclohexa-1,5-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(8R)-1-[(1Z)-buta-1,3-dienyl]-4-ethyl-6,8-difluoro-2,3,3,4-tetramethyl-6,7,8,8a-tetrahydro-1H-isoquinoline
CID 89093088
(3E)-N-[(2S)-4-[(1S,5R)-3,5-difluorocyclohex-3-en-1-yl]butan-2-yl]-6-methyl-N-prop-2-enylhepta-1,3-dien-3-amine
CID 122647527
N-[(2-butyl-2-ethenyl-4-ethyl-5-fluoro-4-methylcycloheptyl)methyl]-8-ethyl-N-methylbicyclo[3.2.2]nona-1(7),5(9),6-trien-6-amine
CID 123489149
N-[3-ethenyl-2-(3-fluoropentyl)-3-propylheptyl]-4-ethyl-N,3,5-trimethylcyclohexa-1,2,5-trien-1-amine
CID 123490671
1,2,4,4-Tetramethyl-1-(4-methylcyclohexa-1,3-dien-1-yl)-3-(3,3,3-trifluoroprop-1-en-2-yl)-2,3-dihydropyridin-1-ium
CID 123826438
N-[2-(4-fluoro-9,9-dimethylcyclononen-1-yl)ethyl]-N,3,5,5,6-pentamethyl-4-(3,7,8-trimethylnonan-2-yl)cyclohexa-1,3-dien-1-amine
CID 124035592
10-cyclohepta-1,3,5-trien-1-yl-3-[(3Z,5Z)-4-(1,1-difluoroethyl)-6-ethyl-3-methylocta-1,3,5,7-tetraen-2-yl]-8-propyl-3-azaspiro[5.5]undecane
CID 129019213
(3Z)-N-[(5,6-difluorocyclohexa-1,5-dien-1-yl)methyl]-4,5-dimethyl-N-propan-2-yl-3-prop-1-en-2-ylnona-1,3-dien-2-amine
CID 130242943
(3Z)-3-ethyl-N-[(2E,4Z)-5-[(E)-3-fluorobut-2-en-2-yl]nona-2,4-dienyl]-N,4,5-trimethyldeca-1,3-dien-2-amine
CID 130243094
(8S,10E)-3-[1-[4-(2,2-difluoroethyl)-3-ethylcyclohepta-1,3-dien-1-yl]ethenyl]-8-(2-methylpropyl)-10-[(2Z)-penta-2,4-dienylidene]-3-azaspiro[5.5]undecane
CID 130370966
(10E)-3-(3-tert-butyl-2-fluoro-6-methyl-7-methylidenecyclohepta-2,4-dien-1-yl)-10-[(3Z)-hexa-3,5-dienylidene]-3-azaspiro[5.5]undecane
CID 130371001
(3Z,6Z)-N-ethyl-4-fluoro-6-methyl-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]-3-[(6-methylcyclohexa-2,4-dien-1-yl)methyl]-5-methylideneocta-1,3,6-trien-2-amine
CID 132123933

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-ethyl-3,5-difluorocyclohexa-1,3-dien-1-yl)-3,3,4-trimethylpentan-2-yl]-N,6-dimethylcyclohexa-1,5-dien-1-amine?
The IUPAC name of N-[4-(6-ethyl-3,5-difluorocyclohexa-1,3-dien-1-yl)-3,3,4-trimethylpentan-2-yl]-N,6-dimethylcyclohexa-1,5-dien-1-amine (CID 155106139) is N-[4-(6-ethyl-3,5-difluorocyclohexa-1,3-dien-1-yl)-3,3,4-trimethylpentan-2-yl]-N,6-dimethylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for N-[4-(6-ethyl-3,5-difluorocyclohexa-1,3-dien-1-yl)-3,3,4-trimethylpentan-2-yl]-N,6-dimethylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for N-[4-(6-ethyl-3,5-difluorocyclohexa-1,3-dien-1-yl)-3,3,4-trimethylpentan-2-yl]-N,6-dimethylcyclohexa-1,5-dien-1-amine is CCC1C(C(C)(C)C(C)(C)C(C)N(C)C2=CCCC=C2C)=CC(F)=CC1F.
What is the InChIKey of N-[4-(6-ethyl-3,5-difluorocyclohexa-1,3-dien-1-yl)-3,3,4-trimethylpentan-2-yl]-N,6-dimethylcyclohexa-1,5-dien-1-amine?
The InChIKey is WVERENHTBFYQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37F2N/c1-9-19-20(14-18(25)15-21(19)26)24(6,7)23(4,5)17(3)27(8)22-13-11-10-12-16(22)2/h12-15,17,19,21H,9-11H2,1-8H3.
What are the key properties of N-[4-(6-ethyl-3,5-difluorocyclohexa-1,3-dien-1-yl)-3,3,4-trimethylpentan-2-yl]-N,6-dimethylcyclohexa-1,5-dien-1-amine?
N-[4-(6-ethyl-3,5-difluorocyclohexa-1,3-dien-1-yl)-3,3,4-trimethylpentan-2-yl]-N,6-dimethylcyclohexa-1,5-dien-1-amine has a molecular weight of 377.56 g/mol, XLogP of 7.14, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-ethyl-3,5-difluorocyclohexa-1,3-dien-1-yl)-3,3,4-trimethylpentan-2-yl]-N,6-dimethylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 155106139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).