(1E,2R)-N-[3-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propyl]-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]propan-2-amine

C23H28F3N — CID 138663224

IUPAC(1E,2R)-N-[3-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propyl]-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]propan-2-amine
SMILESC=C/C=c1/cccc/c1=C\[C@@H](C)NCCCC1(C)C=C(C(F)(F)F)C=CC1
InChIInChI=1S/C23H28F3N/c1-4-9-19-10-5-6-11-20(19)16-18(2)27-15-8-14-22(3)13-7-12-21(17-22)23(24,25)26/h4-7,9-12,16-18,27H,1,8,13-15H2,2-3H3/b19-9-,20-16+/t18-,22?/m1/s1
InChIKeyDIOCMBKFZLBIDW-DKCDNORESA-N
MW375.48 g/mol
LogP4.65
Rot. Bonds7

About (1E,2R)-N-[3-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propyl]-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]propan-2-amine

(1E,2R)-N-[3-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propyl]-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]propan-2-amine (PubChem CID 138663224) has the molecular formula C23H28F3N and a molecular weight of 375.48 g/mol. Its IUPAC name is (1E,2R)-N-[3-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propyl]-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]propan-2-amine.

Molecular Properties

Compound Name(1E,2R)-N-[3-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propyl]-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]propan-2-amine
PubChem CID138663224
Molecular FormulaC23H28F3N
Molecular Weight375.48 g/mol
Exact Mass375.22
IUPAC Name(1E,2R)-N-[3-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propyl]-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]propan-2-amine
SMILESC=C/C=c1/cccc/c1=C\[C@@H](C)NCCCC1(C)C=C(C(F)(F)F)C=CC1
InChIInChI=1S/C23H28F3N/c1-4-9-19-10-5-6-11-20(19)16-18(2)27-15-8-14-22(3)13-7-12-21(17-22)23(24,25)26/h4-7,9-12,16-18,27H,1,8,13-15H2,2-3H3/b19-9-,20-16+/t18-,22?/m1/s1
InChIKeyDIOCMBKFZLBIDW-DKCDNORESA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1E,2R)-N-[3-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propyl]-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]propan-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1E,2R)-N-[3-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propyl]-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]propan-2-amine?
The IUPAC name of (1E,2R)-N-[3-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propyl]-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]propan-2-amine (CID 138663224) is (1E,2R)-N-[3-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propyl]-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]propan-2-amine.
What is the SMILES notation for (1E,2R)-N-[3-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propyl]-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]propan-2-amine?
The canonical SMILES for (1E,2R)-N-[3-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propyl]-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]propan-2-amine is C=C/C=c1/cccc/c1=C\[C@@H](C)NCCCC1(C)C=C(C(F)(F)F)C=CC1.
What is the InChIKey of (1E,2R)-N-[3-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propyl]-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]propan-2-amine?
The InChIKey is DIOCMBKFZLBIDW-DKCDNORESA-N. The full InChI is InChI=1S/C23H28F3N/c1-4-9-19-10-5-6-11-20(19)16-18(2)27-15-8-14-22(3)13-7-12-21(17-22)23(24,25)26/h4-7,9-12,16-18,27H,1,8,13-15H2,2-3H3/b19-9-,20-16+/t18-,22?/m1/s1.
What are the key properties of (1E,2R)-N-[3-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propyl]-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]propan-2-amine?
(1E,2R)-N-[3-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propyl]-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]propan-2-amine has a molecular weight of 375.48 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,2R)-N-[3-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propyl]-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]propan-2-amine is sourced from PubChem (CID 138663224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).