(3Z)-3-(2,5-difluoro-3,6-dimethyl-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)-N,4-dimethylpentan-2-amine

C18H27F2N — CID 174323845

IUPAC(3Z)-3-(2,5-difluoro-3,6-dimethyl-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)-N,4-dimethylpentan-2-amine
SMILESCNC(C)/C(=c1/c(C)c(F)c(=C(C)C)c(C)c1F)C(C)C
InChIInChI=1S/C18H27F2N/c1-9(2)14-11(5)18(20)16(12(6)17(14)19)15(10(3)4)13(7)21-8/h10,13,21H,1-8H3/b16-15-
InChIKeyTUBYPHBTADBWET-NXVVXOECSA-N
MW295.42 g/mol
LogP3.19
Rot. Bonds3

About (3Z)-3-(2,5-difluoro-3,6-dimethyl-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)-N,4-dimethylpentan-2-amine

(3Z)-3-(2,5-difluoro-3,6-dimethyl-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)-N,4-dimethylpentan-2-amine (PubChem CID 174323845) has the molecular formula C18H27F2N and a molecular weight of 295.42 g/mol. Its IUPAC name is (3Z)-3-(2,5-difluoro-3,6-dimethyl-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name(3Z)-3-(2,5-difluoro-3,6-dimethyl-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)-N,4-dimethylpentan-2-amine
PubChem CID174323845
Molecular FormulaC18H27F2N
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name(3Z)-3-(2,5-difluoro-3,6-dimethyl-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)-N,4-dimethylpentan-2-amine
SMILESCNC(C)/C(=c1/c(C)c(F)c(=C(C)C)c(C)c1F)C(C)C
InChIInChI=1S/C18H27F2N/c1-9(2)14-11(5)18(20)16(12(6)17(14)19)15(10(3)4)13(7)21-8/h10,13,21H,1-8H3/b16-15-
InChIKeyTUBYPHBTADBWET-NXVVXOECSA-N
XLogP3.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3Z)-3-(2,5-difluoro-3,6-dimethyl-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)-N,4-dimethylpentan-2-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

1-[3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-N-methylethanamine
CID 91012112
4-ethyl-3-fluoro-N,6-dimethylcyclohepta-2,4-dien-1-amine
CID 123988716
(2S)-N-[(1S)-1-(3,5-difluoro-4-methylcyclohexa-2,4-dien-1-yl)ethyl]butan-2-amine
CID 166775923
6-(Difluoromethyl)-4-methyl-5-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 170613360
6-(Difluoromethyl)-4-ethyl-5-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 170613718
ethane;(2Z)-N-methyl-1-[(6R)-6-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]penta-2,4-dien-1-amine
CID 176556908
(2Z)-N-methyl-1-[(6R)-6-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]penta-2,4-dien-1-amine
CID 176556909

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(2,5-difluoro-3,6-dimethyl-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)-N,4-dimethylpentan-2-amine?
The IUPAC name of (3Z)-3-(2,5-difluoro-3,6-dimethyl-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)-N,4-dimethylpentan-2-amine (CID 174323845) is (3Z)-3-(2,5-difluoro-3,6-dimethyl-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)-N,4-dimethylpentan-2-amine.
What is the SMILES notation for (3Z)-3-(2,5-difluoro-3,6-dimethyl-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)-N,4-dimethylpentan-2-amine?
The canonical SMILES for (3Z)-3-(2,5-difluoro-3,6-dimethyl-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)-N,4-dimethylpentan-2-amine is CNC(C)/C(=c1/c(C)c(F)c(=C(C)C)c(C)c1F)C(C)C.
What is the InChIKey of (3Z)-3-(2,5-difluoro-3,6-dimethyl-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)-N,4-dimethylpentan-2-amine?
The InChIKey is TUBYPHBTADBWET-NXVVXOECSA-N. The full InChI is InChI=1S/C18H27F2N/c1-9(2)14-11(5)18(20)16(12(6)17(14)19)15(10(3)4)13(7)21-8/h10,13,21H,1-8H3/b16-15-.
What are the key properties of (3Z)-3-(2,5-difluoro-3,6-dimethyl-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)-N,4-dimethylpentan-2-amine?
(3Z)-3-(2,5-difluoro-3,6-dimethyl-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)-N,4-dimethylpentan-2-amine has a molecular weight of 295.42 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(2,5-difluoro-3,6-dimethyl-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 174323845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).