1-N,2-N-dimethyl-2-N-[(3E,5Z)-2-methyl-4-(trifluoromethyl)hepta-3,5-dienyl]-1-N'-pentan-3-ylethane-1,1,2-triamine

C18H34F3N3 — CID 134448071

IUPAC1-N,2-N-dimethyl-2-N-[(3E,5Z)-2-methyl-4-(trifluoromethyl)hepta-3,5-dienyl]-1-N'-pentan-3-ylethane-1,1,2-triamine
SMILESC/C=C\C(=C/C(C)CN(C)CC(NC)NC(CC)CC)C(F)(F)F
InChIInChI=1S/C18H34F3N3/c1-7-10-15(18(19,20)21)11-14(4)12-24(6)13-17(22-5)23-16(8-2)9-3/h7,10-11,14,16-17,22-23H,8-9,12-13H2,1-6H3/b10-7-,15-11+
InChIKeyOWDWCGZZOISMOK-UAABIVIQSA-N
MW349.49 g/mol
LogP3.94
Rot. Bonds11

About 1-N,2-N-dimethyl-2-N-[(3E,5Z)-2-methyl-4-(trifluoromethyl)hepta-3,5-dienyl]-1-N'-pentan-3-ylethane-1,1,2-triamine

1-N,2-N-dimethyl-2-N-[(3E,5Z)-2-methyl-4-(trifluoromethyl)hepta-3,5-dienyl]-1-N'-pentan-3-ylethane-1,1,2-triamine (PubChem CID 134448071) has the molecular formula C18H34F3N3 and a molecular weight of 349.49 g/mol. Its IUPAC name is 1-N,2-N-dimethyl-2-N-[(3E,5Z)-2-methyl-4-(trifluoromethyl)hepta-3,5-dienyl]-1-N'-pentan-3-ylethane-1,1,2-triamine.

Molecular Properties

Compound Name1-N,2-N-dimethyl-2-N-[(3E,5Z)-2-methyl-4-(trifluoromethyl)hepta-3,5-dienyl]-1-N'-pentan-3-ylethane-1,1,2-triamine
PubChem CID134448071
Molecular FormulaC18H34F3N3
Molecular Weight349.49 g/mol
Exact Mass349.27
IUPAC Name1-N,2-N-dimethyl-2-N-[(3E,5Z)-2-methyl-4-(trifluoromethyl)hepta-3,5-dienyl]-1-N'-pentan-3-ylethane-1,1,2-triamine
SMILESC/C=C\C(=C/C(C)CN(C)CC(NC)NC(CC)CC)C(F)(F)F
InChIInChI=1S/C18H34F3N3/c1-7-10-15(18(19,20)21)11-14(4)12-24(6)13-17(22-5)23-16(8-2)9-3/h7,10-11,14,16-17,22-23H,8-9,12-13H2,1-6H3/b10-7-,15-11+
InChIKeyOWDWCGZZOISMOK-UAABIVIQSA-N
XLogP3.94
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.49
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-dimethyl-2-N-[(3E,5Z)-2-methyl-4-(trifluoromethyl)hepta-3,5-dienyl]-1-N'-pentan-3-ylethane-1,1,2-triamine?
The IUPAC name of 1-N,2-N-dimethyl-2-N-[(3E,5Z)-2-methyl-4-(trifluoromethyl)hepta-3,5-dienyl]-1-N'-pentan-3-ylethane-1,1,2-triamine (CID 134448071) is 1-N,2-N-dimethyl-2-N-[(3E,5Z)-2-methyl-4-(trifluoromethyl)hepta-3,5-dienyl]-1-N'-pentan-3-ylethane-1,1,2-triamine.
What is the SMILES notation for 1-N,2-N-dimethyl-2-N-[(3E,5Z)-2-methyl-4-(trifluoromethyl)hepta-3,5-dienyl]-1-N'-pentan-3-ylethane-1,1,2-triamine?
The canonical SMILES for 1-N,2-N-dimethyl-2-N-[(3E,5Z)-2-methyl-4-(trifluoromethyl)hepta-3,5-dienyl]-1-N'-pentan-3-ylethane-1,1,2-triamine is C/C=C\C(=C/C(C)CN(C)CC(NC)NC(CC)CC)C(F)(F)F.
What is the InChIKey of 1-N,2-N-dimethyl-2-N-[(3E,5Z)-2-methyl-4-(trifluoromethyl)hepta-3,5-dienyl]-1-N'-pentan-3-ylethane-1,1,2-triamine?
The InChIKey is OWDWCGZZOISMOK-UAABIVIQSA-N. The full InChI is InChI=1S/C18H34F3N3/c1-7-10-15(18(19,20)21)11-14(4)12-24(6)13-17(22-5)23-16(8-2)9-3/h7,10-11,14,16-17,22-23H,8-9,12-13H2,1-6H3/b10-7-,15-11+.
What are the key properties of 1-N,2-N-dimethyl-2-N-[(3E,5Z)-2-methyl-4-(trifluoromethyl)hepta-3,5-dienyl]-1-N'-pentan-3-ylethane-1,1,2-triamine?
1-N,2-N-dimethyl-2-N-[(3E,5Z)-2-methyl-4-(trifluoromethyl)hepta-3,5-dienyl]-1-N'-pentan-3-ylethane-1,1,2-triamine has a molecular weight of 349.49 g/mol, XLogP of 3.94, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-dimethyl-2-N-[(3E,5Z)-2-methyl-4-(trifluoromethyl)hepta-3,5-dienyl]-1-N'-pentan-3-ylethane-1,1,2-triamine is sourced from PubChem (CID 134448071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).