(2E,4E)-5-[(4,5-dimethyl-4,7-diazaspiro[2.5]octan-7-yl)methyl]-6,6,6-trifluorohexa-2,4-dien-3-amine

C15H24F3N3 — CID 162544958

IUPAC(2E,4E)-5-[(4,5-dimethyl-4,7-diazaspiro[2.5]octan-7-yl)methyl]-6,6,6-trifluorohexa-2,4-dien-3-amine
SMILESC/C=C(N)\C=C(/CN1CC(C)N(C)C2(CC2)C1)C(F)(F)F
InChIInChI=1S/C15H24F3N3/c1-4-13(19)7-12(15(16,17)18)9-21-8-11(2)20(3)14(10-21)5-6-14/h4,7,11H,5-6,8-10,19H2,1-3H3/b12-7+,13-4+
InChIKeyYCDPHCWZDRGJBV-OGLBZTQXSA-N
MW303.37 g/mol
LogP2.51
Rot. Bonds3

About (2E,4E)-5-[(4,5-dimethyl-4,7-diazaspiro[2.5]octan-7-yl)methyl]-6,6,6-trifluorohexa-2,4-dien-3-amine

(2E,4E)-5-[(4,5-dimethyl-4,7-diazaspiro[2.5]octan-7-yl)methyl]-6,6,6-trifluorohexa-2,4-dien-3-amine (PubChem CID 162544958) has the molecular formula C15H24F3N3 and a molecular weight of 303.37 g/mol. Its IUPAC name is (2E,4E)-5-[(4,5-dimethyl-4,7-diazaspiro[2.5]octan-7-yl)methyl]-6,6,6-trifluorohexa-2,4-dien-3-amine.

Molecular Properties

Compound Name(2E,4E)-5-[(4,5-dimethyl-4,7-diazaspiro[2.5]octan-7-yl)methyl]-6,6,6-trifluorohexa-2,4-dien-3-amine
PubChem CID162544958
Molecular FormulaC15H24F3N3
Molecular Weight303.37 g/mol
Exact Mass303.19
IUPAC Name(2E,4E)-5-[(4,5-dimethyl-4,7-diazaspiro[2.5]octan-7-yl)methyl]-6,6,6-trifluorohexa-2,4-dien-3-amine
SMILESC/C=C(N)\C=C(/CN1CC(C)N(C)C2(CC2)C1)C(F)(F)F
InChIInChI=1S/C15H24F3N3/c1-4-13(19)7-12(15(16,17)18)9-21-8-11(2)20(3)14(10-21)5-6-14/h4,7,11H,5-6,8-10,19H2,1-3H3/b12-7+,13-4+
InChIKeyYCDPHCWZDRGJBV-OGLBZTQXSA-N
XLogP2.51
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2E,4E)-5-[(4,5-dimethyl-4,7-diazaspiro[2.5]octan-7-yl)methyl]-6,6,6-trifluorohexa-2,4-dien-3-amine with MolForge

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Related Compounds

4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-7-propan-2-yl-4,7-diazaspiro[2.5]octane
CID 144662372
(2E,4Z,6E)-5-(difluoromethyl)-4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)deca-2,4,6-trien-3-amine
CID 176561560

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-[(4,5-dimethyl-4,7-diazaspiro[2.5]octan-7-yl)methyl]-6,6,6-trifluorohexa-2,4-dien-3-amine?
The IUPAC name of (2E,4E)-5-[(4,5-dimethyl-4,7-diazaspiro[2.5]octan-7-yl)methyl]-6,6,6-trifluorohexa-2,4-dien-3-amine (CID 162544958) is (2E,4E)-5-[(4,5-dimethyl-4,7-diazaspiro[2.5]octan-7-yl)methyl]-6,6,6-trifluorohexa-2,4-dien-3-amine.
What is the SMILES notation for (2E,4E)-5-[(4,5-dimethyl-4,7-diazaspiro[2.5]octan-7-yl)methyl]-6,6,6-trifluorohexa-2,4-dien-3-amine?
The canonical SMILES for (2E,4E)-5-[(4,5-dimethyl-4,7-diazaspiro[2.5]octan-7-yl)methyl]-6,6,6-trifluorohexa-2,4-dien-3-amine is C/C=C(N)\C=C(/CN1CC(C)N(C)C2(CC2)C1)C(F)(F)F.
What is the InChIKey of (2E,4E)-5-[(4,5-dimethyl-4,7-diazaspiro[2.5]octan-7-yl)methyl]-6,6,6-trifluorohexa-2,4-dien-3-amine?
The InChIKey is YCDPHCWZDRGJBV-OGLBZTQXSA-N. The full InChI is InChI=1S/C15H24F3N3/c1-4-13(19)7-12(15(16,17)18)9-21-8-11(2)20(3)14(10-21)5-6-14/h4,7,11H,5-6,8-10,19H2,1-3H3/b12-7+,13-4+.
What are the key properties of (2E,4E)-5-[(4,5-dimethyl-4,7-diazaspiro[2.5]octan-7-yl)methyl]-6,6,6-trifluorohexa-2,4-dien-3-amine?
(2E,4E)-5-[(4,5-dimethyl-4,7-diazaspiro[2.5]octan-7-yl)methyl]-6,6,6-trifluorohexa-2,4-dien-3-amine has a molecular weight of 303.37 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-[(4,5-dimethyl-4,7-diazaspiro[2.5]octan-7-yl)methyl]-6,6,6-trifluorohexa-2,4-dien-3-amine is sourced from PubChem (CID 162544958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).