4-[2-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-methylcyclohexa-2,4-dien-1-amine

C17H20F6N2 — CID 139941668

IUPAC4-[2-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-methylcyclohexa-2,4-dien-1-amine
SMILESCC1(N)C=CC(C(C2=CCC(C)(N)C=C2)(C(F)(F)F)C(F)(F)F)=CC1
InChIInChI=1S/C17H20F6N2/c1-13(24)7-3-11(4-8-13)15(16(18,19)20,17(21,22)23)12-5-9-14(2,25)10-6-12/h3-7,9H,8,10,24-25H2,1-2H3
InChIKeyAOFMTBROPQSNGR-UHFFFAOYSA-N
MW366.35 g/mol
LogP4.30
Rot. Bonds2

About 4-[2-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-methylcyclohexa-2,4-dien-1-amine

4-[2-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-methylcyclohexa-2,4-dien-1-amine (PubChem CID 139941668) has the molecular formula C17H20F6N2 and a molecular weight of 366.35 g/mol. Its IUPAC name is 4-[2-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-methylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-[2-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-methylcyclohexa-2,4-dien-1-amine
PubChem CID139941668
Molecular FormulaC17H20F6N2
Molecular Weight366.35 g/mol
Exact Mass366.15
IUPAC Name4-[2-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-methylcyclohexa-2,4-dien-1-amine
SMILESCC1(N)C=CC(C(C2=CCC(C)(N)C=C2)(C(F)(F)F)C(F)(F)F)=CC1
InChIInChI=1S/C17H20F6N2/c1-13(24)7-3-11(4-8-13)15(16(18,19)20,17(21,22)23)12-5-9-14(2,25)10-6-12/h3-7,9H,8,10,24-25H2,1-2H3
InChIKeyAOFMTBROPQSNGR-UHFFFAOYSA-N
XLogP4.30
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[2-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-methylcyclohexa-2,4-dien-1-amine with MolForge

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Related Compounds

5-amino-2-bromo-5-methylcyclohepta-2,6-dien-1-one
CID 123289464
1-methyl-4-[5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxycyclohexa-2,4-dien-1-amine
CID 142074965
4-(1,1,2,3,3,3-hexafluoropropoxy)-1-methylcyclohexa-2,4-dien-1-amine
CID 18178018
2-(2-cyclohexa-1,5-dien-1-yl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexa-1,3-diene
CID 22140571
5-amino-5-methyl-2-piperidin-4-ylcyclohepta-2,6-dien-1-one
CID 123590386
4-[2-[2-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)oxyphenoxy]phenoxy]-1-methylcyclohexa-2,4-dien-1-amine
CID 175162642
4-methylcyclohexa-1,5-diene-1,4-diamine;naphthalene-1,5-diol
CID 160846113
4-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
CID 162568572
1-[1-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine
CID 70148604
1-N-(2-ethoxyethyl)-1-N-ethyl-4-methylcyclohexa-1,5-diene-1,4-diamine
CID 139754139
4-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine
CID 67649794
2,5-dimethyl-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 134426503

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-methylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-[2-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-methylcyclohexa-2,4-dien-1-amine (CID 139941668) is 4-[2-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-methylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-[2-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-methylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-[2-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-methylcyclohexa-2,4-dien-1-amine is CC1(N)C=CC(C(C2=CCC(C)(N)C=C2)(C(F)(F)F)C(F)(F)F)=CC1.
What is the InChIKey of 4-[2-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-methylcyclohexa-2,4-dien-1-amine?
The InChIKey is AOFMTBROPQSNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F6N2/c1-13(24)7-3-11(4-8-13)15(16(18,19)20,17(21,22)23)12-5-9-14(2,25)10-6-12/h3-7,9H,8,10,24-25H2,1-2H3.
What are the key properties of 4-[2-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-methylcyclohexa-2,4-dien-1-amine?
4-[2-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-methylcyclohexa-2,4-dien-1-amine has a molecular weight of 366.35 g/mol, XLogP of 4.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-methylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 139941668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).