(1Z,3E,5E)-1-N-methyl-4-(trifluoromethyl)cyclonona-1,3,5-triene-1,2-diamine

C11H15F3N2 — CID 178136823

IUPAC(1Z,3E,5E)-1-N-methyl-4-(trifluoromethyl)cyclonona-1,3,5-triene-1,2-diamine
SMILESCN/C1=C(N)\C=C(C(F)(F)F)/C=C/CCC1
InChIInChI=1S/C11H15F3N2/c1-16-10-6-4-2-3-5-8(7-9(10)15)11(12,13)14/h3,5,7,16H,2,4,6,15H2,1H3/b5-3+,8-7+,10-9+
InChIKeyNHIPZWRJEJFMJN-SDFLQZFISA-N
MW232.25 g/mol
LogP2.60
Rot. Bonds1

About (1Z,3E,5E)-1-N-methyl-4-(trifluoromethyl)cyclonona-1,3,5-triene-1,2-diamine

(1Z,3E,5E)-1-N-methyl-4-(trifluoromethyl)cyclonona-1,3,5-triene-1,2-diamine (PubChem CID 178136823) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is (1Z,3E,5E)-1-N-methyl-4-(trifluoromethyl)cyclonona-1,3,5-triene-1,2-diamine.

Molecular Properties

Compound Name(1Z,3E,5E)-1-N-methyl-4-(trifluoromethyl)cyclonona-1,3,5-triene-1,2-diamine
PubChem CID178136823
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name(1Z,3E,5E)-1-N-methyl-4-(trifluoromethyl)cyclonona-1,3,5-triene-1,2-diamine
SMILESCN/C1=C(N)\C=C(C(F)(F)F)/C=C/CCC1
InChIInChI=1S/C11H15F3N2/c1-16-10-6-4-2-3-5-8(7-9(10)15)11(12,13)14/h3,5,7,16H,2,4,6,15H2,1H3/b5-3+,8-7+,10-9+
InChIKeyNHIPZWRJEJFMJN-SDFLQZFISA-N
XLogP2.60
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3E,6Z)-3-ethylidene-4-methylidene-5-propan-2-ylidene-N-(2,2,2-trifluoroethyl)nona-1,6,8-trien-2-amine
CID 88278299
(3E,5Z)-3-ethenyl-10,10,10-trifluoro-5-methyldeca-3,5-diene-2,6-diamine
CID 124095521
(3E,5E)-5-(1,2-difluoroethylidene)-4-fluoro-N-methylocta-1,3,7-trien-3-amine
CID 134383256
(E)-2-[(Z)-2-fluoroethenyl]-1-N-methylhept-2-ene-1,3-diamine
CID 134493447
(Z)-3-(2-fluoro-6-methyl-1,2-dihydropyridin-5-yl)pent-3-en-1-amine
CID 134604072
(3Z)-N-ethyl-2-[[4-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]methyl]penta-1,3-dien-3-amine
CID 135269232
(3E)-2-N,4-N-dimethyl-3-(5,5,5-trifluoropentyl)penta-1,3-diene-2,4-diamine
CID 135269286
1-N-methyl-4-(trifluoromethyl)cyclohepta-1,3,5-triene-1,2-diamine
CID 145150591
ethane;N-methyl-7-methylidene-4-(trifluoromethyl)cyclohepta-1,3-dien-1-amine
CID 145221446
(2Z,4E)-4-(difluoromethyl)-N-(4-methylpenta-1,4-dien-2-yl)hexa-2,4-dien-1-amine
CID 166907459
(1E,3E)-N,3-dimethyl-4-(trifluoromethyl)cycloocta-1,3,7-trien-1-amine
CID 167039148
N-methyl-4-(1,1,2,2,2-pentafluoroethyl)cyclohexa-1,3-dien-1-amine
CID 167256994

Frequently Asked Questions

What is the IUPAC name of (1Z,3E,5E)-1-N-methyl-4-(trifluoromethyl)cyclonona-1,3,5-triene-1,2-diamine?
The IUPAC name of (1Z,3E,5E)-1-N-methyl-4-(trifluoromethyl)cyclonona-1,3,5-triene-1,2-diamine (CID 178136823) is (1Z,3E,5E)-1-N-methyl-4-(trifluoromethyl)cyclonona-1,3,5-triene-1,2-diamine.
What is the SMILES notation for (1Z,3E,5E)-1-N-methyl-4-(trifluoromethyl)cyclonona-1,3,5-triene-1,2-diamine?
The canonical SMILES for (1Z,3E,5E)-1-N-methyl-4-(trifluoromethyl)cyclonona-1,3,5-triene-1,2-diamine is CN/C1=C(N)\C=C(C(F)(F)F)/C=C/CCC1.
What is the InChIKey of (1Z,3E,5E)-1-N-methyl-4-(trifluoromethyl)cyclonona-1,3,5-triene-1,2-diamine?
The InChIKey is NHIPZWRJEJFMJN-SDFLQZFISA-N. The full InChI is InChI=1S/C11H15F3N2/c1-16-10-6-4-2-3-5-8(7-9(10)15)11(12,13)14/h3,5,7,16H,2,4,6,15H2,1H3/b5-3+,8-7+,10-9+.
What are the key properties of (1Z,3E,5E)-1-N-methyl-4-(trifluoromethyl)cyclonona-1,3,5-triene-1,2-diamine?
(1Z,3E,5E)-1-N-methyl-4-(trifluoromethyl)cyclonona-1,3,5-triene-1,2-diamine has a molecular weight of 232.25 g/mol, XLogP of 2.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E,5E)-1-N-methyl-4-(trifluoromethyl)cyclonona-1,3,5-triene-1,2-diamine is sourced from PubChem (CID 178136823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).